[1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-methoxy-3-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: [1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-methoxy-3-(phenylcarbonyloxy)propyl] benzoate Openeye Name: [1-(4-amino-2-oxo-pyrimidin-1-yl)-3-benzoyloxy-3-methoxy-propyl] benzoate CAS Name: benzoic acid [1-(4-amino-2-oxo-1-pyrimidinyl)-3-benzoyloxy-3-methoxypropyl] ester IUPAC Name: [1-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-3-methoxypropyl] benzoate Traditional Name: benzoic acid [1-(4-amino-2-keto-pyrimidin-1-yl)-3-benzoyloxy-3-methoxy-propyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CC(N1C=CC(=NC1=O)N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(CC(N1C=CC(=NC1=O)N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O6/c1-29-19(31-21(27)16-10-6-3-7-11-16)14-18(25-13-12-17(23)24-22(25)28)30-20(26)15-8-4-2-5-9-15/h2-13,18-19H,14H2,1H3,(H2,23,24,28)