1-[[3-[tert-butyl(sulfinato)amino]-4-phenyl-phenyl]methyl]-4-oxidanylidene-2,3-dihydroquinazoline

Systemtic Name: 1-[[3-[tert-butyl(sulfinato)amino]-4-phenyl-phenyl]methyl]-4-oxidanylidene-2,3-dihydroquinazoline Openeye Name: 1-[[3-[tert-butyl(sulfinato)amino]-4-phenyl-phenyl]methyl]-4-oxo-2,3-dihydroquinazoline CAS Name: 1-[[3-[tert-butyl(sulfinato)amino]-4-phenylphenyl]methyl]-4-oxo-2,3-dihydroquinazoline IUPAC Name: 1-[[3-[tert-butyl(sulfinato)amino]-4-phenylphenyl]methyl]-4-oxo-2,3-dihydroquinazoline Traditional Name: 1-[3-[tert-butyl(sulfinato)amino]-4-phenyl-benzyl]-4-keto-2,3-dihydroquinazoline Formula: C25H26N3O3S- MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C1=C(C=CC(=C1)CN2CNC(=O)C3=CC=CC=C32)C4=CC=CC=C4)S(=O)[O-]

Isomeric SMILES

CC(C)(C)N(C1=C(C=CC(=C1)CN2CNC(=O)C3=CC=CC=C32)C4=CC=CC=C4)S(=O)[O-]

InChI

InChI=1S/C25H27N3O3S/c1-25(2,3)28(32(30)31)23-15-18(13-14-20(23)19-9-5-4-6-10-19)16-27-17-26-24(29)21-11-7-8-12-22(21)27/h4-15H,16-17H2,1-3H3,(H,26,29)(H,30,31)/p-1