ethyl 5-[(2-methyl-3-oxidanylidene-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]pentanoate

Systemtic Name: ethyl 5-[(2-methyl-3-oxidanylidene-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]pentanoate Openeye Name: ethyl 5-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]pentanoate CAS Name: 5-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]pentanoate Traditional Name: 5-[(3-keto-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]valeric acid ethyl ester Formula: C13H18N4O3S MolecularWeight: 310.37202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC=NC2=C1NN(C2=O)C

Isomeric SMILES

CCOC(=O)CCCCSC1=NC=NC2=C1NN(C2=O)C

InChI

InChI=1S/C13H18N4O3S/c1-3-20-9(18)6-4-5-7-21-12-10-11(14-8-15-12)13(19)17(2)16-10/h8,16H,3-7H2,1-2H3