(5S)-4-azanyl-5-(3-methylphenyl)-2-methylsulfanyl-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one

Systemtic Name: (5S)-4-azanyl-5-(3-methylphenyl)-2-methylsulfanyl-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one Openeye Name: (5S)-4-amino-2-methylsulfanyl-5-(m-tolyl)-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one CAS Name: (5S)-4-amino-5-(3-methylphenyl)-2-(methylthio)-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one IUPAC Name: (5S)-4-amino-5-(3-methylphenyl)-2-methylsulfanyl-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one Traditional Name: (5S)-4-amino-2-(methylthio)-5-(m-tolyl)-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3=C(CCCC3=O)CC4=C2C(=NC(=N4)SC)N

Isomeric SMILES

CC1=CC=CC(=C1)[C@@H]2C3=C(CCCC3=O)CC4=C2C(=NC(=N4)SC)N

InChI

InChI=1S/C20H21N3OS/c1-11-5-3-6-12(9-11)17-16-13(7-4-8-15(16)24)10-14-18(17)19(21)23-20(22-14)25-2/h3,5-6,9,17H,4,7-8,10H2,1-2H3,(H2,21,22,23)/t17-/m1/s1