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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 2-[(2-chlorophenyl)methylthio]-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-[(2-chlorobenzyl)thio]-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C29H30ClN3O5S MolecularWeight: 568.0836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4Cl)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4Cl)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C1)C

InChI

InChI=1S/C29H30ClN3O5S/c1-29(2)12-18-23(19(34)13-29)22(16-10-20(36-3)25(38-5)21(11-16)37-4)24-26(31-18)32-28(33-27(24)35)39-14-15-8-6-7-9-17(15)30/h6-11,22H,12-14H2,1-5H3,(H2,31,32,33,35)