2-azanyl-6-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]dinicotinonitrile Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=C(C=C(C(=N2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=C(C=C(C(=N2)N)C#N)C#N

InChI

InChI=1S/C16H19N5OS/c1-11(16(22)21-6-4-2-3-5-7-21)23-15-13(10-18)8-12(9-17)14(19)20-15/h8,11H,2-7H2,1H3,(H2,19,20)/t11-/m1/s1