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

Systemtic Name: 4-(azepan-1-yl)-7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C25H26N4 MolecularWeight: 382.50074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4/c1-19-10-9-13-21(16-19)29-17-22(20-11-5-4-6-12-20)23-24(26-18-27-25(23)29)28-14-7-2-3-8-15-28/h4-6,9-13,16-18H,2-3,7-8,14-15H2,1H3