1,3-bis(2-methoxyphenyl)-8,8-dimethyl-5-(2-nitrophenyl)-10-(phenylmethyl)-2-sulfanylidene-7,9-dihydro-5H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 1,3-bis(2-methoxyphenyl)-8,8-dimethyl-5-(2-nitrophenyl)-10-(phenylmethyl)-2-sulfanylidene-7,9-dihydro-5H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 10-benzyl-1,3-bis(2-methoxyphenyl)-8,8-dimethyl-5-(2-nitrophenyl)-2-thioxo-7,9-dihydro-5H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 1,3-bis(2-methoxyphenyl)-8,8-dimethyl-5-(2-nitrophenyl)-10-(phenylmethyl)-2-sulfanylidene-7,9-dihydro-5H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 10-benzyl-1,3-bis(2-methoxyphenyl)-8,8-dimethyl-5-(2-nitrophenyl)-2-sulfanylidene-7,9-dihydro-5H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 10-benzyl-1,3-bis(2-methoxyphenyl)-8,8-dimethyl-5-(2-nitrophenyl)-2-thioxo-7,9-dihydro-5H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C40H36N4O6S MolecularWeight: 700.80204

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2CC4=CC=CC=C4)N(C(=S)N(C3=O)C5=CC=CC=C5OC)C6=CC=CC=C6OC)C7=CC=CC=C7[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2CC4=CC=CC=C4)N(C(=S)N(C3=O)C5=CC=CC=C5OC)C6=CC=CC=C6OC)C7=CC=CC=C7[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C40H36N4O6S/c1-40(2)22-30-35(31(45)23-40)34(26-16-8-9-17-27(26)44(47)48)36-37(41(30)24-25-14-6-5-7-15-25)42(28-18-10-12-20-32(28)49-3)39(51)43(38(36)46)29-19-11-13-21-33(29)50-4/h5-21,34H,22-24H2,1-4H3