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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC=NC2=C1NN(C2=O)C

Isomeric SMILES

CCCCOC(=O)CSC1=NC=NC2=C1NN(C2=O)C

InChI

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