1,3-dimethyl-5-[(E)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-[(E)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-[(E)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[(E)-3-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxoprop-1-enyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[(E)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxoprop-1-enyl]pyrimidine-2,4-dione Traditional Name: 5-[(E)-3-keto-3-[4-(3-nitrophenyl)sulfonylpiperazino]prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C19H21N5O7S MolecularWeight: 463.46434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O7S/c1-20-13-14(18(26)21(2)19(20)27)6-7-17(25)22-8-10-23(11-9-22)32(30,31)16-5-3-4-15(12-16)24(28)29/h3-7,12-13H,8-11H2,1-2H3/b7-6+