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

Systemtic Name: 4-azanyl-2-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H17N5OS/c18-10-13-11-20-17(21-15(13)19)24-14(12-6-2-1-3-7-12)16(23)22-8-4-5-9-22/h1-3,6-7,11,14H,4-5,8-9H2,(H2,19,20,21)/t14-/m1/s1