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

Systemtic Name: 5-azanyl-7-tert-butyl-4-(3-methoxyphenyl)-2-methylsulfanyl-quinazoline-6-carboxamide Openeye Name: 5-amino-7-tert-butyl-4-(3-methoxyphenyl)-2-methylsulfanyl-quinazoline-6-carboxamide CAS Name: 5-amino-7-tert-butyl-4-(3-methoxyphenyl)-2-(methylthio)-6-quinazolinecarboxamide IUPAC Name: 5-amino-7-tert-butyl-4-(3-methoxyphenyl)-2-methylsulfanylquinazoline-6-carboxamide Traditional Name: 5-amino-7-tert-butyl-4-(3-methoxyphenyl)-2-(methylthio)quinazoline-6-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-21(2,3)13-10-14-16(17(22)15(13)19(23)26)18(25-20(24-14)28-5)11-7-6-8-12(9-11)27-4/h6-10H,22H2,1-5H3,(H2,23,26)