4-azanyl-2-[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(1R)-2-keto-1-phenyl-2-piperidino-ethyl]thio]pyrimidine-5-carbonitrile Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H19N5OS/c19-11-14-12-21-18(22-16(14)20)25-15(13-7-3-1-4-8-13)17(24)23-9-5-2-6-10-23/h1,3-4,7-8,12,15H,2,5-6,9-10H2,(H2,20,21,22)/t15-/m1/s1