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

Systemtic Name: ethyl 4-[(2-methyl-3-oxidanylidene-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]butanoate CAS Name: 4-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]butanoate Traditional Name: 4-[(3-keto-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]butyric acid ethyl ester Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC=NC2=C1NN(C2=O)C

Isomeric SMILES

CCOC(=O)CCCSC1=NC=NC2=C1NN(C2=O)C

InChI

InChI=1S/C12H16N4O3S/c1-3-19-8(17)5-4-6-20-11-9-10(13-7-14-11)12(18)16(2)15-9/h7,15H,3-6H2,1-2H3