(6S)-2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinazolin-4-olate

Systemtic Name: (6S)-2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinazolin-4-olate Openeye Name: (6S)-2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinazolin-4-olate CAS Name: (6S)-2-[(4-aminophenyl)methylthio]-6-methyl-5,6,7,8-tetrahydroquinazolin-4-olate IUPAC Name: (6S)-2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydroquinazolin-4-olate Traditional Name: (6S)-2-[(4-aminobenzyl)thio]-6-methyl-5,6,7,8-tetrahydroquinazolin-4-olate Formula: C16H18N3OS- MolecularWeight: 300.39862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NC(=N2)SCC3=CC=C(C=C3)N)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=NC(=N2)SCC3=CC=C(C=C3)N)[O-]

InChI

InChI=1S/C16H19N3OS/c1-10-2-7-14-13(8-10)15(20)19-16(18-14)21-9-11-3-5-12(17)6-4-11/h3-6,10H,2,7-9,17H2,1H3,(H,18,19,20)/p-1/t10-/m0/s1