2-(1,3-benzoxazol-2-ylsulfanylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=NC4=CC=CC=C4O3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=NC4=CC=CC=C4O3)C=C1

InChI

InChI=1S/C17H13N3O2S/c1-11-6-7-15-18-12(8-16(21)20(15)9-11)10-23-17-19-13-4-2-3-5-14(13)22-17/h2-9H,10H2,1H3