5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-[(4-nitrophenyl)methylthio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-[(4-nitrobenzyl)thio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C27H24N4O6S MolecularWeight: 532.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC6=C(C=C5)OCO6)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC6=C(C=C5)OCO6)C(=O)C1)C

InChI

InChI=1S/C27H24N4O6S/c1-27(2)10-17-22(18(32)11-27)21(15-5-8-19-20(9-15)37-13-36-19)23-24(28-17)29-26(30-25(23)33)38-12-14-3-6-16(7-4-14)31(34)35/h3-9,21H,10-13H2,1-2H3,(H2,28,29,30,33)