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

Systemtic Name: 5-azanyl-7-tert-butyl-4-(3-hydroxyphenyl)-2-methylsulfanyl-quinazoline-6-carboxamide Openeye Name: 5-amino-7-tert-butyl-4-(3-hydroxyphenyl)-2-methylsulfanyl-quinazoline-6-carboxamide CAS Name: 5-amino-7-tert-butyl-4-(3-hydroxyphenyl)-2-(methylthio)-6-quinazolinecarboxamide IUPAC Name: 5-amino-7-tert-butyl-4-(3-hydroxyphenyl)-2-methylsulfanylquinazoline-6-carboxamide Traditional Name: 5-amino-7-tert-butyl-4-(3-hydroxyphenyl)-2-(methylthio)quinazoline-6-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-20(2,3)12-9-13-15(16(21)14(12)18(22)26)17(24-19(23-13)27-4)10-6-5-7-11(25)8-10/h5-9,25H,21H2,1-4H3,(H2,22,26)