JNJ-38158471

CAT: 0926-BNB15197-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-BNB15197-01Size:1 mg

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CAS Number

951151-97-6

MDL Number

MFCD22631501

Smiles

CCNC (=O) NC1=C (C=C (C=C1) OC2=NC=NC (=C2/C=N\OC) N) Cl

Molecular Formula

C15H17ClN6O3

Molecular Weight

364.79 g/mol

Controlled

Chemical Information

Jnj-38158471

CAS Number	951151-97-6
PubChem CID	16742063
IUPAC Name	1-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-2-chlorophenyl]-3-ethylurea
Molecular Formula	C15H17ClN6O3
Molecular Weight	364.79
XLogP	1.8
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	455

SMILES

CCNC(=O)NC1=C(C=C(C=C1)OC2=NC=NC(=C2/C=N/OC)N)Cl

InChI

InChI=1S/C15H17ClN6O3/c1-3-18-15(23)22-12-5-4-9(6-11(12)16)25-14-10(7-21-24-2)13(17)19-8-20-14/h4-8H,3H2,1-2H3,(H2,17,19,20)(H2,18,22,23)/b21-7+

InChIKey

BJHCYTJNPVGSBZ-QPSGOUHRSA-N

Chemical Structure

2D Structure

CAS: 951151-97-6

CID: 16742063

Formula: C15H17ClN6O3

MW: 364.79

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	364.79
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	364.1050661
Monoisotopic Mass	364.1050661
Topological Polar Surface Area	124 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	455
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes