5-(3,4-dimethoxyphenyl)-2-phenethylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-phenethylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine Openeye Name: 5-(3,4-dimethoxyphenyl)-2-phenethylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine CAS Name: 5-(3,4-dimethoxyphenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-phenethylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine Traditional Name: [5-(3,4-dimethoxyphenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-yl]amine Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C(=NC(=NC3=NC4=C2CCCC4)SCCC5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C(=NC(=NC3=NC4=C2CCCC4)SCCC5=CC=CC=C5)N)OC

InChI

InChI=1S/C27H28N4O2S/c1-32-21-13-12-18(16-22(21)33-2)23-19-10-6-7-11-20(19)29-26-24(23)25(28)30-27(31-26)34-15-14-17-8-4-3-5-9-17/h3-5,8-9,12-13,16H,6-7,10-11,14-15H2,1-2H3,(H2,28,29,30,31)