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

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C25H29N7O3 MolecularWeight: 475.54286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N7O3/c1-35-22-9-7-21(8-10-22)29-13-17-31(18-14-29)25-23(32(33)34)24(26-19-27-25)30-15-11-28(12-16-30)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3