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

Systemtic Name: 4-(2-methylpiperidin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-(2-methyl-1-piperidinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(2-methylpiperidino)-5-nitro-pyrimidine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c1-17-7-5-6-12-26(17)22-20(27(28)29)21(23-16-24-22)25-13-10-19(11-14-25)15-18-8-3-2-4-9-18/h2-4,8-9,16-17,19H,5-7,10-15H2,1H3