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

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-carbonitrile Openeye Name: 4-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazine-1-carbonyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile CAS Name: 4-[[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-oxomethyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile IUPAC Name: 4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile Traditional Name: 4-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazine-1-carbonyl]-2-oxido-furazan-2-ium-3-carbonitrile Formula: C18H18N8O5 MolecularWeight: 426.38612

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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#N)[O-])N)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N8O5/c1-29-13-7-10-11(8-14(13)30-2)21-18(22-16(10)20)25-5-3-24(4-6-25)17(27)15-12(9-19)26(28)31-23-15/h7-8H,3-6H2,1-2H3,(H2,20,21,22)