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

Systemtic Name: 4-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-[4-(2-methoxyphenyl)-1-piperidyl]-5-nitro-pyrimidine CAS Name: 4-[4-(2-methoxyphenyl)-1-piperidinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-[4-(2-methoxyphenyl)piperidino]-5-nitro-pyrimidine Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H32N6O3/c1-36-24-10-6-5-9-23(24)22-11-13-31(14-12-22)26-25(33(34)35)27(29-20-28-26)32-17-15-30(16-18-32)19-21-7-3-2-4-8-21/h2-10,20,22H,11-19H2,1H3