3-methyl-6-phenacylsulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-6-phenacylsulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methyl-6-phenacylsulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-6-(phenacylthio)-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methyl-6-phenacylsulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methyl-6-(phenacylthio)-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)SCC(=O)C3=CC=CC=C3)NN1

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)SCC(=O)C3=CC=CC=C3)NN1

InChI

InChI=1S/C14H12N4O2S/c1-8-11-12(18-17-8)15-14(16-13(11)20)21-7-10(19)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,15,16,17,18,20)