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

Systemtic Name: 5-(4-methoxyphenyl)-8,8-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(4-methoxyphenyl)-8,8-dimethyl-2-(o-tolylmethylsulfanyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(4-methoxyphenyl)-8,8-dimethyl-2-[(2-methylphenyl)methylthio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(4-methoxyphenyl)-8,8-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(4-methoxyphenyl)-8,8-dimethyl-2-[(2-methylbenzyl)thio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=O)C3=C(N2)NC4=C(C3C5=CC=C(C=C5)OC)C(=O)CC(C4)(C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=O)C3=C(N2)NC4=C(C3C5=CC=C(C=C5)OC)C(=O)CC(C4)(C)C

InChI

InChI=1S/C28H29N3O3S/c1-16-7-5-6-8-18(16)15-35-27-30-25-24(26(33)31-27)22(17-9-11-19(34-4)12-10-17)23-20(29-25)13-28(2,3)14-21(23)32/h5-12,22H,13-15H2,1-4H3,(H2,29,30,31,33)