7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-methyl-2-[[(4-nitrophenyl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-methyl-2-[[(4-nitrophenyl)thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C16H13N3O3S/c1-11-2-7-15-17-12(8-16(20)18(15)9-11)10-23-14-5-3-13(4-6-14)19(21)22/h2-9H,10H2,1H3