T-1-PMPA

CAT: 0607-BA3238-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3238-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1323883-62-0

Form

A solid

Molecular Formula

C16H17N5O3

Molecular Weight

327.34

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

T-1-Pmpa

CAS Number	1323883-62-0
PubChem CID	27228714
IUPAC Name	2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methylphenyl)acetamide
Molecular Formula	C16H17N5O3
Molecular Weight	327.34
XLogP	1.2
Topological Polar Surface Area	87.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	532

SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C16H17N5O3/c1-10-4-6-11(7-5-10)18-12(22)8-21-15(23)13-14(17-9-19(13)2)20(3)16(21)24/h4-7,9H,8H2,1-3H3,(H,18,22)

InChIKey

VLJCBQHKTQNXIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1323883-62-0

CID: 27228714

Formula: C16H17N5O3

MW: 327.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.34
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	327.13313942
Monoisotopic Mass	327.13313942
Topological Polar Surface Area	87.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	532
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes