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

Systemtic Name: 7-(3-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(m-tolyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-methylphenyl)-4-[4-(4-nitrophenyl)-1-piperazinyl]-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(m-tolyl)-4-[4-(4-nitrophenyl)piperazino]-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C29H26N6O2 MolecularWeight: 490.55574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

InChI

InChI=1S/C29H26N6O2/c1-21-6-5-9-25(18-21)34-19-26(22-7-3-2-4-8-22)27-28(30-20-31-29(27)34)33-16-14-32(15-17-33)23-10-12-24(13-11-23)35(36)37/h2-13,18-20H,14-17H2,1H3