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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN6O2/c1-15-5-7-25(8-6-15)19-18(27(28)29)20(23-14-22-19)26-11-9-24(10-12-26)17-4-2-3-16(21)13-17/h2-4,13-15H,5-12H2,1H3