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

Systemtic Name: ethyl 2-[(3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-oxo-2-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]acetate CAS Name: 2-[(3-oxo-2-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-oxo-2-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]acetate Traditional Name: 2-[(3-keto-2-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C1NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C1NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C15H14N4O3S/c1-2-22-11(20)8-23-14-12-13(16-9-17-14)15(21)19(18-12)10-6-4-3-5-7-10/h3-7,9,18H,2,8H2,1H3