4-(3-methylpiperidin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine

Systemtic Name: 4-(3-methylpiperidin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-(3-methyl-1-piperidinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(3-methylpiperidino)-5-nitro-pyrimidine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

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