1,3-bis(4-chlorophenyl)-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(4-chlorophenyl)-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(4-chlorophenyl)-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(4-chlorophenyl)-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(4-chlorophenyl)-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(4-chlorophenyl)-8,8-dimethyl-5-(2-nitrophenyl)-2-thioxo-7,9-dihydro-5H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C38H30Cl2N4O4S MolecularWeight: 709.6402

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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=C(C=C5)Cl)C6=CC=C(C=C6)Cl)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=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C7=CC=CC=C7[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C38H30Cl2N4O4S/c1-38(2)20-30-33(31(45)21-38)32(28-10-6-7-11-29(28)44(47)48)34-35(41(30)22-23-8-4-3-5-9-23)42(26-16-12-24(39)13-17-26)37(49)43(36(34)46)27-18-14-25(40)15-19-27/h3-19,32H,20-22H2,1-2H3