2-ethylsulfanyl-3-(phenylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one

Systemtic Name: 2-ethylsulfanyl-3-(phenylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 3-benzyl-2-ethylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 2-(ethylthio)-3-(phenylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 3-benzyl-2-ethylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 3-benzyl-2-(ethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3OS/c1-2-25-20-22-18-16(12-15-10-6-7-11-17(15)21-18)19(24)23(20)13-14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3