6-methyl-3-methylsulfanyl-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-methyl-3-methylsulfanyl-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-benzyl-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-methyl-3-(methylthio)-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-benzyl-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-benzyl-6-methyl-3-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(NN(C2=N1)CC3=CC=CC=C3)SC

Isomeric SMILES

CC1=NC(=O)C2=C(NN(C2=N1)CC3=CC=CC=C3)SC

InChI

InChI=1S/C14H14N4OS/c1-9-15-12-11(13(19)16-9)14(20-2)17-18(12)8-10-6-4-3-5-7-10/h3-7,17H,8H2,1-2H3