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

Systemtic Name: 2-[[4-[(4-methyl-5-oxidanylidene-1,4-diazepan-1-yl)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[[4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-2-pyridyl]amino]thiazole-5-carbonitrile CAS Name: 2-[[4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-2-pyridinyl]amino]-5-thiazolecarbonitrile IUPAC Name: 2-[[4-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[[4-[(5-keto-4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridyl]amino]thiazole-5-carbonitrile Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6OS/c1-21-6-7-22(5-3-15(21)23)11-12-2-4-18-14(8-12)20-16-19-10-13(9-17)24-16/h2,4,8,10H,3,5-7,11H2,1H3,(H,18,19,20)