6,7-dimethoxy-2-[4-oxidanidyl-4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-2-[4-oxidanidyl-4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-4-amine Openeye Name: 2-(4-benzyl-4-oxido-piperazin-4-ium-1-yl)-6,7-dimethoxy-quinazolin-4-amine CAS Name: 6,7-dimethoxy-2-[4-oxido-4-(phenylmethyl)-1-piperazin-4-iumyl]-4-quinazolinamine IUPAC Name: 2-(4-benzyl-4-oxidopiperazin-4-ium-1-yl)-6,7-dimethoxyquinazolin-4-amine Traditional Name: [2-(4-benzyl-4-oxido-piperazin-4-ium-1-yl)-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CC[N+](CC3)(CC4=CC=CC=C4)[O-])N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CC[N+](CC3)(CC4=CC=CC=C4)[O-])N)OC

InChI

InChI=1S/C21H25N5O3/c1-28-18-12-16-17(13-19(18)29-2)23-21(24-20(16)22)25-8-10-26(27,11-9-25)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,23,24)