5-(3-chloranyl-4-methyl-phenyl)-6-sulfanylidene-1-thiophen-2-ylcarbonyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-6-sulfanylidene-1-thiophen-2-ylcarbonyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(3-chloro-4-methyl-phenyl)-1-(thiophene-2-carbonyl)-6-thioxo-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3-chloro-4-methylphenyl)-1-[oxo(thiophen-2-yl)methyl]-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3-chloro-4-methylphenyl)-6-sulfanylidene-1-(thiophene-2-carbonyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3-chloro-4-methyl-phenyl)-1-(2-thenoyl)-6-thioxo-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H11ClN4O2S2 MolecularWeight: 402.87784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CNN(C3=NC2=S)C(=O)C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CNN(C3=NC2=S)C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C17H11ClN4O2S2/c1-9-4-5-10(7-12(9)18)21-15(23)11-8-19-22(14(11)20-17(21)25)16(24)13-3-2-6-26-13/h2-8,19H,1H3