2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSCC(=O)C3=C(N(C(=C3)C)C4CC4)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC(=O)C3=C(N(C(=C3)C)C4CC4)C)C=C1

InChI

InChI=1S/C21H23N3O2S/c1-13-4-7-20-22-16(9-21(26)23(20)10-13)11-27-12-19(25)18-8-14(2)24(15(18)3)17-5-6-17/h4,7-10,17H,5-6,11-12H2,1-3H3