4-(3-aminophenyl)-5-azanyl-7-tert-butyl-2-methylsulfanyl-quinazoline-6-carboxamide

Systemtic Name: 4-(3-aminophenyl)-5-azanyl-7-tert-butyl-2-methylsulfanyl-quinazoline-6-carboxamide Openeye Name: 5-amino-4-(3-aminophenyl)-7-tert-butyl-2-methylsulfanyl-quinazoline-6-carboxamide CAS Name: 5-amino-4-(3-aminophenyl)-7-tert-butyl-2-(methylthio)-6-quinazolinecarboxamide IUPAC Name: 5-amino-4-(3-aminophenyl)-7-tert-butyl-2-methylsulfanylquinazoline-6-carboxamide Traditional Name: 5-amino-4-(3-aminophenyl)-7-tert-butyl-2-(methylthio)quinazoline-6-carboxamide Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C(=C1C(=O)N)N)C(=NC(=N2)SC)C3=CC(=CC=C3)N

Isomeric SMILES

CC(C)(C)C1=CC2=C(C(=C1C(=O)N)N)C(=NC(=N2)SC)C3=CC(=CC=C3)N

InChI

InChI=1S/C20H23N5OS/c1-20(2,3)12-9-13-15(16(22)14(12)18(23)26)17(25-19(24-13)27-4)10-6-5-7-11(21)8-10/h5-9H,21-22H2,1-4H3,(H2,23,26)