2-[[3-chloranyl-4-[(4-methyl-5-oxidanylidene-1,4-diazepan-1-yl)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[[3-chloranyl-4-[(4-methyl-5-oxidanylidene-1,4-diazepan-1-yl)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[[3-chloro-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-2-pyridyl]amino]thiazole-5-carbonitrile CAS Name: 2-[[3-chloro-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-2-pyridinyl]amino]-5-thiazolecarbonitrile IUPAC Name: 2-[[3-chloro-4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[[3-chloro-4-[(5-keto-4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridyl]amino]thiazole-5-carbonitrile Formula: C16H17ClN6OS MolecularWeight: 376.86378

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCC1=O)CC2=C(C(=NC=C2)NC3=NC=C(S3)C#N)Cl

Isomeric SMILES

CN1CCN(CCC1=O)CC2=C(C(=NC=C2)NC3=NC=C(S3)C#N)Cl

InChI

InChI=1S/C16H17ClN6OS/c1-22-6-7-23(5-3-13(22)24)10-11-2-4-19-15(14(11)17)21-16-20-9-12(8-18)25-16/h2,4,9H,3,5-7,10H2,1H3,(H,19,20,21)