4-(azepan-1-yl)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O/c1-30-21-13-11-20(12-14-21)29-17-22(19-9-5-4-6-10-19)23-24(26-18-27-25(23)29)28-15-7-2-3-8-16-28/h4-6,9-14,17-18H,2-3,7-8,15-16H2,1H3