2-phenethylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine

Systemtic Name: 2-phenethylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine Openeye Name: 2-phenethylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine CAS Name: 2-(phenethylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine IUPAC Name: 2-phenethylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine Traditional Name: [2-(phenethylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-yl]amine Formula: C25H24N4S MolecularWeight: 412.54986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C3C(=NC(=NC3=N2)SCCC4=CC=CC=C4)N)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C3C(=NC(=NC3=N2)SCCC4=CC=CC=C4)N)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4S/c26-23-22-21(18-11-5-2-6-12-18)19-13-7-8-14-20(19)27-24(22)29-25(28-23)30-16-15-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H2,26,27,28,29)