4-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]carbonyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carboxamide

Systemtic Name: 4-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]carbonyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carboxamide Openeye Name: 4-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazine-1-carbonyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide CAS Name: 4-[[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-oxomethyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide IUPAC Name: 4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide Traditional Name: 4-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazine-1-carbonyl]-2-oxido-furazan-2-ium-3-carboxamide Formula: C18H20N8O6 MolecularWeight: 444.4014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=NO[N+](=C4C(=O)N)[O-])N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=NO[N+](=C4C(=O)N)[O-])N)OC

InChI

InChI=1S/C18H20N8O6/c1-30-11-7-9-10(8-12(11)31-2)21-18(22-15(9)19)25-5-3-24(4-6-25)17(28)13-14(16(20)27)26(29)32-23-13/h7-8H,3-6H2,1-2H3,(H2,20,27)(H2,19,21,22)