(2-chlorophenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: (2-chlorophenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (2-chlorophenyl)methyl 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid (2-chlorobenzyl) ester Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C16H15ClN4O3/c1-20-15-12(8-19-20)16(23)21(10-18-15)7-6-14(22)24-9-11-4-2-3-5-13(11)17/h2-5,8,10H,6-7,9H2,1H3