4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(2-ethoxyphenyl)-1-piperazinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-5-nitro-6-(4-o-phenetylpiperazino)pyrimidine Formula: C27H33N7O3 MolecularWeight: 503.59602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H33N7O3/c1-2-37-24-11-7-6-10-23(24)31-16-18-33(19-17-31)27-25(34(35)36)26(28-21-29-27)32-14-12-30(13-15-32)20-22-8-4-3-5-9-22/h3-11,21H,2,12-20H2,1H3