2-[(4-azanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(4-azanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(4-amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(4-amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio]-1-phenylethanone IUPAC Name: 2-[(4-amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(4-amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio]-1-phenyl-ethanone Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4OS/c26-23-22-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)27-24(22)29-25(28-23)31-15-20(30)16-9-3-1-4-10-16/h1-6,9-12H,7-8,13-15H2,(H2,26,27,28,29)