2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-nitro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O5S/c1-14-6-7-16(15(2)13-14)31(29,30)23-11-9-22(10-12-23)19-18(25(27)28)20(26)24-8-4-3-5-17(24)21-19/h3-8,13H,9-12H2,1-2H3