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

Systemtic Name: 4-(azepan-1-yl)-7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C25H25ClN4 MolecularWeight: 416.9458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN4/c1-18-11-12-20(15-22(18)26)30-16-21(19-9-5-4-6-10-19)23-24(27-17-28-25(23)30)29-13-7-2-3-8-14-29/h4-6,9-12,15-17H,2-3,7-8,13-14H2,1H3