4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-(2-ethyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-(2-ethylpiperidino)-5-nitro-pyrimidine Formula: C21H27ClN6O2 MolecularWeight: 430.93108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN6O2/c1-2-17-7-3-4-9-27(17)21-19(28(29)30)20(23-15-24-21)26-12-10-25(11-13-26)18-8-5-6-16(22)14-18/h5-6,8,14-15,17H,2-4,7,9-13H2,1H3