4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(2-methoxyphenyl)-1-piperidyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-[4-(2-methoxyphenyl)-1-piperidinyl]-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(2-methoxyphenyl)piperidino]-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H28N6O3/c1-24-11-13-26(14-12-24)21-19(27(28)29)20(22-15-23-21)25-9-7-16(8-10-25)17-5-3-4-6-18(17)30-2/h3-6,15-16H,7-14H2,1-2H3