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

Systemtic Name: (5S)-4-azanyl-5-(3-methoxy-4-oxidanyl-phenyl)-2-methylsulfanyl-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one Openeye Name: (5S)-4-amino-5-(4-hydroxy-3-methoxy-phenyl)-2-methylsulfanyl-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one CAS Name: (5S)-4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-(methylthio)-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one IUPAC Name: (5S)-4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methylsulfanyl-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one Traditional Name: (5S)-4-amino-5-(4-hydroxy-3-methoxy-phenyl)-2-(methylthio)-7,8,9,10-tetrahydro-5H-benzo[g]quinazolin-6-one Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)CC4=C2C(=NC(=N4)SC)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2C3=C(CCCC3=O)CC4=C2C(=NC(=N4)SC)N)O

InChI

InChI=1S/C20H21N3O3S/c1-26-15-9-11(6-7-13(15)24)17-16-10(4-3-5-14(16)25)8-12-18(17)19(21)23-20(22-12)27-2/h6-7,9,17,24H,3-5,8H2,1-2H3,(H2,21,22,23)/t17-/m1/s1