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

Systemtic Name: 8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5-(4-phenylmethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(4-benzyloxyphenyl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 8,8-dimethyl-2-[(4-nitrophenyl)methylthio]-5-(4-phenylmethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5-(4-phenylmethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(4-benzoxyphenyl)-8,8-dimethyl-2-[(4-nitrobenzyl)thio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C33H30N4O5S MolecularWeight: 594.6801

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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=C5)OCC6=CC=CC=C6)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=C5)OCC6=CC=CC=C6)C(=O)C1)C

InChI

InChI=1S/C33H30N4O5S/c1-33(2)16-25-28(26(38)17-33)27(22-10-14-24(15-11-22)42-18-20-6-4-3-5-7-20)29-30(34-25)35-32(36-31(29)39)43-19-21-8-12-23(13-9-21)37(40)41/h3-15,27H,16-19H2,1-2H3,(H2,34,35,36,39)