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

Systemtic Name: 2-chloranyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-2-chloro-5-nitro-pyrimidin-4-amine CAS Name: 2-chloro-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-chloro-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-2-chloro-5-nitro-pyrimidin-4-yl]amine Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O2/c17-16-19-14(18)13(22(23)24)15(20-16)21-8-6-12(7-9-21)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,18,19,20)