[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1-azido-piperazin-1-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1-azido-piperazin-1-ium-1-yl]-phenyl-methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1-azido-piperazin-1-ium-1-yl]-phenyl-methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-azido-1-piperazin-1-iumyl]-phenylmethanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-azidopiperazin-1-ium-1-yl]-phenylmethanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1-azido-piperazin-1-ium-1-yl]-phenyl-methanone Formula: C21H23N8O3+ MolecularWeight: 435.45912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CC[N+](CC3)(C(=O)C4=CC=CC=C4)N=[N+]=[N-])N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CC[N+](CC3)(C(=O)C4=CC=CC=C4)N=[N+]=[N-])N)OC

InChI

InChI=1S/C21H23N8O3/c1-31-17-12-15-16(13-18(17)32-2)24-21(25-19(15)22)28-8-10-29(11-9-28,27-26-23)20(30)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,22,24,25)/q+1