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

Systemtic Name: 4-(2-ethylpiperidin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-(2-ethyl-1-piperidinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(2-ethylpiperidino)-5-nitro-pyrimidine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O2/c1-2-19-10-6-7-11-27(19)22-20(28(29)30)21(23-17-24-22)26-14-12-25(13-15-26)16-18-8-4-3-5-9-18/h3-5,8-9,17,19H,2,6-7,10-16H2,1H3