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

Systemtic Name: 5-(3-methoxy-4-phenylmethoxy-phenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-allylsulfanyl-5-(4-benzyloxy-3-methoxy-phenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-2-(prop-2-enylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-2-prop-2-enylsulfanyl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(allylthio)-5-(4-benzoxy-3-methoxy-phenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C28H27N3O4S MolecularWeight: 501.59668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC=C)OCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4S/c1-3-14-36-28-30-26-25(27(33)31-28)23(24-19(29-26)10-7-11-20(24)32)18-12-13-21(22(15-18)34-2)35-16-17-8-5-4-6-9-17/h3-6,8-9,12-13,15,23H,1,7,10-11,14,16H2,2H3,(H2,29,30,31,33)