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

Systemtic Name: 3-(2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-(phenylmethyl)piperidine-1-carboxylate Openeye Name: 3-(2-amino-4-oxo-1H-pyrimidin-6-yl)-2-benzyl-piperidine-1-carboxylate CAS Name: 3-(2-amino-4-oxo-1H-pyrimidin-6-yl)-2-(phenylmethyl)-1-piperidinecarboxylate IUPAC Name: 3-(2-amino-4-oxo-1H-pyrimidin-6-yl)-2-benzylpiperidine-1-carboxylate Traditional Name: 3-(2-amino-4-keto-1H-pyrimidin-6-yl)-2-benzyl-piperidine-1-carboxylate Formula: C17H19N4O3- MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3/c18-16-19-13(10-15(22)20-16)12-7-4-8-21(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)(H3,18,19,20,22)/p-1