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

Systemtic Name: methyl 4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzoate Openeye Name: methyl 4-[(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzoate CAS Name: 4-[(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzoate Traditional Name: 4-[(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzoic acid methyl ester Formula: C15H14N4O3 MolecularWeight: 298.29666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C15H14N4O3/c1-18-13-12(7-17-18)14(20)19(9-16-13)8-10-3-5-11(6-4-10)15(21)22-2/h3-7,9H,8H2,1-2H3