3-methyl-5-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 3-methyl-5-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylic acid Openeye Name: 3-methyl-5-[(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylic acid CAS Name: 3-methyl-5-[(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)methyl]-2-furancarboxylic acid IUPAC Name: 3-methyl-5-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-3-methyl-2-furoic acid Formula: C13H12N4O4 MolecularWeight: 288.25878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2C=NC3=C(C2=O)C=NN3C)C(=O)O

Isomeric SMILES

CC1=C(OC(=C1)CN2C=NC3=C(C2=O)C=NN3C)C(=O)O

InChI

InChI=1S/C13H12N4O4/c1-7-3-8(21-10(7)13(19)20)5-17-6-14-11-9(12(17)18)4-15-16(11)2/h3-4,6H,5H2,1-2H3,(H,19,20)