4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[4-(2-methoxyethyl)-1-piperazin-4-iumyl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CCOC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CCOC)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O/c1-20-7-6-10-22(17-20)31-18-23(21-8-4-3-5-9-21)24-25(27-19-28-26(24)31)30-13-11-29(12-14-30)15-16-32-2/h3-10,17-19H,11-16H2,1-2H3/p+1