N-tert-butyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-tert-butyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-tert-butyl-5-nitro-pyrimidin-4-amine CAS Name: N-tert-butyl-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-tert-butyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-tert-butyl-amine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2/c1-20(2,3)23-18-17(25(26)27)19(22-14-21-18)24-11-9-16(10-12-24)13-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,21,22,23)