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

Systemtic Name: 8,8-dimethyl-2-methylsulfanyl-5-(4-phenylmethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(4-benzyloxyphenyl)-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 8,8-dimethyl-2-(methylthio)-5-(4-phenylmethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 8,8-dimethyl-2-methylsulfanyl-5-(4-phenylmethoxyphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(4-benzoxyphenyl)-8,8-dimethyl-2-(methylthio)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SC)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SC)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C27H27N3O3S/c1-27(2)13-19-22(20(31)14-27)21(23-24(28-19)29-26(34-3)30-25(23)32)17-9-11-18(12-10-17)33-15-16-7-5-4-6-8-16/h4-12,21H,13-15H2,1-3H3,(H2,28,29,30,32)