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

Systemtic Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(4-methyl-1-piperazinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2/c1-24-11-13-26(14-12-24)21-19(27(28)29)20(22-16-23-21)25-9-7-18(8-10-25)15-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3