(phenylmethyl) 1-(5-azanyl-4-oxidanyl-4H-pyrimidin-3-yl)piperazine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(5-azanyl-4-oxidanyl-4H-pyrimidin-3-yl)piperazine-2-carboxylate Openeye Name: benzyl 1-(5-amino-4-hydroxy-4H-pyrimidin-3-yl)piperazine-2-carboxylate CAS Name: 1-(5-amino-4-hydroxy-4H-pyrimidin-3-yl)-2-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(5-amino-4-hydroxy-4H-pyrimidin-3-yl)piperazine-2-carboxylate Traditional Name: 1-(5-amino-4-hydroxy-4H-pyrimidin-3-yl)piperazine-2-carboxylic acid benzyl ester Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)OCC2=CC=CC=C2)N3C=NC=C(C3O)N

Isomeric SMILES

C1CN(C(CN1)C(=O)OCC2=CC=CC=C2)N3C=NC=C(C3O)N

InChI

InChI=1S/C16H21N5O3/c17-13-8-19-11-21(15(13)22)20-7-6-18-9-14(20)16(23)24-10-12-4-2-1-3-5-12/h1-5,8,11,14-15,18,22H,6-7,9-10,17H2