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

Systemtic Name: 4-(azepan-1-yl)-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O/c1-2-31-22-14-12-21(13-15-22)30-18-23(20-10-6-5-7-11-20)24-25(27-19-28-26(24)30)29-16-8-3-4-9-17-29/h5-7,10-15,18-19H,2-4,8-9,16-17H2,1H3