3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-(phenylmethyl)piperidine-1-carboxylate

Systemtic Name: 3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-(phenylmethyl)piperidine-1-carboxylate Openeye Name: 3-(2-amino-6-chloro-pyrimidin-4-yl)-2-benzyl-piperidine-1-carboxylate CAS Name: 3-(2-amino-6-chloro-4-pyrimidinyl)-2-(phenylmethyl)-1-piperidinecarboxylate IUPAC Name: 3-(2-amino-6-chloropyrimidin-4-yl)-2-benzylpiperidine-1-carboxylate Traditional Name: 3-(2-amino-6-chloro-pyrimidin-4-yl)-2-benzyl-piperidine-1-carboxylate Formula: C17H18ClN4O2- MolecularWeight: 345.80342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)[O-])CC2=CC=CC=C2)C3=CC(=NC(=N3)N)Cl

Isomeric SMILES

C1CC(C(N(C1)C(=O)[O-])CC2=CC=CC=C2)C3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C17H19ClN4O2/c18-15-10-13(20-16(19)21-15)12-7-4-8-22(17(23)24)14(12)9-11-5-2-1-3-6-11/h1-3,5-6,10,12,14H,4,7-9H2,(H,23,24)(H2,19,20,21)/p-1