5-(3-methoxy-4-phenylmethoxy-phenyl)-8,8-dimethyl-2-prop-2-enylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(3-methoxy-4-phenylmethoxy-phenyl)-8,8-dimethyl-2-prop-2-enylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-allylsulfanyl-5-(4-benzyloxy-3-methoxy-phenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-8,8-dimethyl-2-(prop-2-enylthio)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-8,8-dimethyl-2-prop-2-enylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(allylthio)-5-(4-benzoxy-3-methoxy-phenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O4S/c1-5-13-38-29-32-27-26(28(35)33-29)24(25-20(31-27)15-30(2,3)16-21(25)34)19-11-12-22(23(14-19)36-4)37-17-18-9-7-6-8-10-18/h5-12,14,24H,1,13,15-17H2,2-4H3,(H2,31,32,33,35)