7-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)pyrido[1,2-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)pyrido[1,2-a]pyrimidine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-7-methyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carbonitrile CAS Name: 7-methyl-4-oxo-2-(phenylmethylthio)-3-pyrido[1,2-a]pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile Traditional Name: 2-(benzylthio)-4-keto-7-methyl-pyrido[1,2-a]pyrimidine-3-carbonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=C(C2=O)C#N)SCC3=CC=CC=C3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=C(C2=O)C#N)SCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C17H13N3OS/c1-12-7-8-15-19-16(14(9-18)17(21)20(15)10-12)22-11-13-5-3-2-4-6-13/h2-8,10H,11H2,1H3