7-(4-ethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(4-ethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(4-ethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(4-ethoxyphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-ethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C25H29N6O+ MolecularWeight: 429.53736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NN4CC[NH+](CC4)C)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NN4CC[NH+](CC4)C)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O/c1-3-32-21-11-9-20(10-12-21)31-17-22(19-7-5-4-6-8-19)23-24(26-18-27-25(23)31)28-30-15-13-29(2)14-16-30/h4-12,17-18H,3,13-16H2,1-2H3,(H,26,27,28)/p+1