5-(3-chloranyl-4-methyl-phenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(3-chloro-4-methyl-phenyl)-6-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3-chloro-4-methylphenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3-chloro-4-methylphenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3-chloro-4-methyl-phenyl)-6-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C12H9ClN4OS MolecularWeight: 292.74406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CNNC3=NC2=S)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CNNC3=NC2=S)Cl

InChI

InChI=1S/C12H9ClN4OS/c1-6-2-3-7(4-9(6)13)17-11(18)8-5-14-16-10(8)15-12(17)19/h2-5H,1H3,(H2,14,15,16,19)