2-[4-azanyl-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(3-azanyl-5-methyl-pyrazol-1-yl)ethanone

Systemtic Name: 2-[4-azanyl-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(3-azanyl-5-methyl-pyrazol-1-yl)ethanone Openeye Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(3-amino-5-methyl-pyrazol-1-yl)ethanone CAS Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(3-amino-5-methyl-1-pyrazolyl)ethanone IUPAC Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-(3-amino-5-methylpyrazol-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-(3-amino-5-methyl-pyrazol-1-yl)ethanone Formula: C19H20N8O2S MolecularWeight: 424.4795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC(=CC=C4)OC)N)C)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC(=CC=C4)OC)N)C)N

InChI

InChI=1S/C19H20N8O2S/c1-10-7-14(20)25-27(10)15(28)9-30-19-22-18-16(11(2)23-24-18)17(21)26(19)12-5-4-6-13(8-12)29-3/h4-8H,9,21H2,1-3H3,(H2,20,25)