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

Systemtic Name: 8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5-(2,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5-(2,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 8,8-dimethyl-2-[(4-nitrophenyl)methylthio]-5-(2,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5-(2,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-asaryl-8,8-dimethyl-2-[(4-nitrobenzyl)thio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C29H30N4O7S MolecularWeight: 578.6361

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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=CC(=C(C=C5OC)OC)OC)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=CC(=C(C=C5OC)OC)OC)C(=O)C1)C

InChI

InChI=1S/C29H30N4O7S/c1-29(2)12-18-24(19(34)13-29)23(17-10-21(39-4)22(40-5)11-20(17)38-3)25-26(30-18)31-28(32-27(25)35)41-14-15-6-8-16(9-7-15)33(36)37/h6-11,23H,12-14H2,1-5H3,(H2,30,31,32,35)