4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C24H26ClN7O2 MolecularWeight: 479.96194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H26ClN7O2/c25-19-5-4-8-21(17-19)29-11-15-31(16-12-29)24-22(32(33)34)23(26-18-27-24)30-13-9-28(10-14-30)20-6-2-1-3-7-20/h1-8,17-18H,9-16H2