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

Systemtic Name: 7-(4-ethoxyphenyl)-4-(4-nitropiperazin-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-ethoxyphenyl)-4-(4-nitropiperazin-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-ethoxyphenyl)-4-(4-nitro-1-piperazinyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-ethoxyphenyl)-4-(4-nitropiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-nitropiperazino)-5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidine Formula: C24H24N6O3 MolecularWeight: 444.48576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C24H24N6O3/c1-2-33-20-10-8-19(9-11-20)29-16-21(18-6-4-3-5-7-18)22-23(25-17-26-24(22)29)27-12-14-28(15-13-27)30(31)32/h3-11,16-17H,2,12-15H2,1H3