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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrophenyl)methylthio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-[(4-nitrobenzyl)thio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C28H28N4O6S MolecularWeight: 548.61012

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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)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=C5)OC)OC)C(=O)C1)C

InChI

InChI=1S/C28H28N4O6S/c1-28(2)12-18-23(19(33)13-28)22(16-7-10-20(37-3)21(11-16)38-4)24-25(29-18)30-27(31-26(24)34)39-14-15-5-8-17(9-6-15)32(35)36/h5-11,22H,12-14H2,1-4H3,(H2,29,30,31,34)