7-(4-bromophenyl)-5-phenyl-4-[4-(phenylmethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine

Systemtic Name: 7-(4-bromophenyl)-5-phenyl-4-[4-(phenylmethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-bromophenyl)-5-phenyl-4-[4-(phenylmethyl)-1-piperidinyl]pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperidino)-7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C30H27BrN4 MolecularWeight: 523.46618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC4=C3C(=CN4C5=CC=C(C=C5)Br)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC4=C3C(=CN4C5=CC=C(C=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C30H27BrN4/c31-25-11-13-26(14-12-25)35-20-27(24-9-5-2-6-10-24)28-29(32-21-33-30(28)35)34-17-15-23(16-18-34)19-22-7-3-1-4-8-22/h1-14,20-21,23H,15-19H2