2-(3,4-dimethoxyphenyl)-7-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinazoline

Systemtic Name: 2-(3,4-dimethoxyphenyl)-7-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinazoline Openeye Name: 2-(3,4-dimethoxyphenyl)-7-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinazoline CAS Name: 2-(3,4-dimethoxyphenyl)-7-ethoxy-4-(4-ethyl-1-piperazin-4-iumyl)-6-methoxyquinazoline IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxyquinazoline Traditional Name: 2-(3,4-dimethoxyphenyl)-7-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinazoline Formula: C25H33N4O4+ MolecularWeight: 453.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OCC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OCC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H32N4O4/c1-6-28-10-12-29(13-11-28)25-18-15-22(32-5)23(33-7-2)16-19(18)26-24(27-25)17-8-9-20(30-3)21(14-17)31-4/h8-9,14-16H,6-7,10-13H2,1-5H3/p+1