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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OCN3C=CC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OCN3C=CC(=NC3=O)N

InChI

InChI=1S/C22H21N3O6/c23-19-11-12-25(22(28)24-19)15-31-18(13-29-20(26)16-7-3-1-4-8-16)14-30-21(27)17-9-5-2-6-10-17/h1-12,18H,13-15H2,(H2,23,24,28)