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

Systemtic Name: ethyl 2-methyl-2-[(3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]propanoate Openeye Name: ethyl 2-methyl-2-[(3-oxo-2-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]propanoate CAS Name: 2-methyl-2-[(3-oxo-2-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-[(3-oxo-2-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]propanoate Traditional Name: 2-[(3-keto-2-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]-2-methyl-propionic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC=NC2=C1NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC=NC2=C1NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3S/c1-4-24-16(23)17(2,3)25-14-12-13(18-10-19-14)15(22)21(20-12)11-8-6-5-7-9-11/h5-10,20H,4H2,1-3H3