4-(2-ethylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(2-ethylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(2-ethyl-1-piperidyl)-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-(2-ethyl-1-piperidinyl)-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(2-ethylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-(2-ethylpiperidino)-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H27N7O2/c1-2-16-7-4-6-10-26(16)20-18(27(28)29)19(22-15-23-20)25-13-11-24(12-14-25)17-8-3-5-9-21-17/h3,5,8-9,15-16H,2,4,6-7,10-14H2,1H3