(E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(5-nitrothiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(5-nitrothiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(5-nitro-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-(5-nitro-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(5-nitrothiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-3-(5-nitro-2-thienyl)prop-2-en-1-one Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C=CC4=CC=C(S4)[N+](=O)[O-])N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)/C=C/C4=CC=C(S4)[N+](=O)[O-])N)OC

InChI

InChI=1S/C21H22N6O5S/c1-31-16-11-14-15(12-17(16)32-2)23-21(24-20(14)22)26-9-7-25(8-10-26)18(28)5-3-13-4-6-19(33-13)27(29)30/h3-6,11-12H,7-10H2,1-2H3,(H2,22,23,24)/b5-3+