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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6-(2-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6-(2-methylpiperidino)-5-nitro-pyrimidine Formula: C20H25ClN6O2 MolecularWeight: 416.9045

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H25ClN6O2/c1-15-5-2-3-8-26(15)20-18(27(28)29)19(22-14-23-20)25-11-9-24(10-12-25)17-7-4-6-16(21)13-17/h4,6-7,13-15H,2-3,5,8-12H2,1H3