[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile (CHEBI:42957)

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CHEBI:42957 - [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile

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ChEBI ID	CHEBI:42957
ChEBI Name	[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile
Stars
Last Modified	16 May 2008
Downloads	Molfile

Formula	C22H19N7
Net Charge	0
Average Mass	381.443
Monoisotopic Mass	381.17019
SMILES	[H]C1=C([H])C([H])(C([H])([H])C#N)C([H])=C([H])C1=Nc1nc(N([H])c2nn([H])c(C3([H])C([H])([H])C3([H])[H])c2[H])c2c([H])c([H])c([H])c([H])c2n1
InChI	InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16-/t14-/m1/s1
InChIKey	AWMNWCNUTIFHRJ-AEXIOTRNSA-N

ChEBI Ontology

Outgoing Relation(s)
	[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile (CHEBI:42957) is a unclassifieds (CHEBI:27189)

Synonyms	Source
[(1S,4E)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile	PDBeChem
[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE	PDBeChem

Manual Xrefs	Databases
GVD	PDBeChem