6-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C17H14N6O2S/c1-10-7-14(24)22-17(19-10)26-9-13-20-15-12(16(25)21-13)8-18-23(15)11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,19,22,24)