6-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H17N7O2S MolecularWeight: 395.43828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4C(=CC(=N4)N)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4C(=CC(=N4)N)C

InChI

InChI=1S/C18H17N7O2S/c1-10-5-3-4-6-13(10)24-17(27)12-8-20-22-16(12)21-18(24)28-9-15(26)25-11(2)7-14(19)23-25/h3-8H,9H2,1-2H3,(H2,19,23)(H,20,22)