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

Systemtic Name: 4-(2-methylpiperidin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-(2-methyl-1-piperidinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(2-methylpiperidino)-5-nitro-pyrimidine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

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