1-[[6,7-dimethoxy-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]amino]urea

Systemtic Name: 1-[[6,7-dimethoxy-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]amino]urea Openeye Name: [[6,7-dimethoxy-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]amino]urea CAS Name: [[6,7-dimethoxy-2-(4-methyl-1-piperazin-4-iumyl)-4-quinazolinyl]amino]urea IUPAC Name: [[6,7-dimethoxy-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]amino]urea Traditional Name: [[6,7-dimethoxy-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]amino]urea Formula: C16H24N7O3+ MolecularWeight: 362.40686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NNC(=O)N)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NNC(=O)N)OC)OC

InChI

InChI=1S/C16H23N7O3/c1-22-4-6-23(7-5-22)16-18-11-9-13(26-3)12(25-2)8-10(11)14(19-16)20-21-15(17)24/h8-9H,4-7H2,1-3H3,(H3,17,21,24)(H,18,19,20)/p+1