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

Systemtic Name: 5-(4-ethoxy-3-methoxy-phenyl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(4-ethoxy-3-methoxy-phenyl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(4-ethoxy-3-methoxyphenyl)-8,8-dimethyl-2-[(4-nitrophenyl)methylthio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(4-ethoxy-3-methoxyphenyl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(4-ethoxy-3-methoxy-phenyl)-8,8-dimethyl-2-[(4-nitrobenzyl)thio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C29H30N4O6S MolecularWeight: 562.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)N=C(N4)SCC5=CC=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)N=C(N4)SCC5=CC=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C29H30N4O6S/c1-5-39-21-11-8-17(12-22(21)38-4)23-24-19(13-29(2,3)14-20(24)34)30-26-25(23)27(35)32-28(31-26)40-15-16-6-9-18(10-7-16)33(36)37/h6-12,23H,5,13-15H2,1-4H3,(H2,30,31,32,35)