4-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]sulfonylbenzene-1,3-diamine

Systemtic Name: 4-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]sulfonylbenzene-1,3-diamine Openeye Name: 4-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]sulfonylbenzene-1,3-diamine CAS Name: 4-[[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]sulfonyl]benzene-1,3-diamine IUPAC Name: 4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]sulfonylbenzene-1,3-diamine Traditional Name: [3-amino-4-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]sulfonyl-phenyl]amine Formula: C20H25N7O4S MolecularWeight: 459.522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)N)N)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)N)N)N)OC

InChI

InChI=1S/C20H25N7O4S/c1-30-16-10-13-15(11-17(16)31-2)24-20(25-19(13)23)26-5-7-27(8-6-26)32(28,29)18-4-3-12(21)9-14(18)22/h3-4,9-11H,5-8,21-22H2,1-2H3,(H2,23,24,25)