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

Systemtic Name: 4-(2-ethylpiperidin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-(2-ethyl-1-piperidinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(2-ethylpiperidino)-5-nitro-pyrimidine Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O2/c1-2-20-10-6-7-13-27(20)23-21(28(29)30)22(24-17-25-23)26-14-11-19(12-15-26)16-18-8-4-3-5-9-18/h3-5,8-9,17,19-20H,2,6-7,10-16H2,1H3