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

Systemtic Name: 6-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H19N7O2S MolecularWeight: 409.46486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4C(=CC(=N4)N)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4C(=CC(=N4)N)C

InChI

InChI=1S/C19H19N7O2S/c1-3-12-4-6-13(7-5-12)25-18(28)14-9-21-23-17(14)22-19(25)29-10-16(27)26-11(2)8-15(20)24-26/h4-9H,3,10H2,1-2H3,(H2,20,24)(H,21,23)