N-(2-chloranylpyridin-3-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(2-chloranylpyridin-3-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(2-chloro-3-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2-chloro-3-pyridinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(2-chloropyridin-3-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(2-chloro-3-pyridyl)amine Formula: C21H21ClN6O2 MolecularWeight: 424.88344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(N=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(N=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN6O2/c22-19-17(7-4-10-23-19)26-20-18(28(29)30)21(25-14-24-20)27-11-8-16(9-12-27)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2,(H,24,25,26)