2-[4-azanyl-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-benzyl-acetamide CAS Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-benzylacetamide Traditional Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-benzyl-acetamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCC3=CC=CC=C3)C4=CC(=CC=C4)OC)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCC3=CC=CC=C3)C4=CC(=CC=C4)OC)N

InChI

InChI=1S/C22H22N6O2S/c1-14-19-20(23)28(16-9-6-10-17(11-16)30-2)22(25-21(19)27-26-14)31-13-18(29)24-12-15-7-4-3-5-8-15/h3-11H,12-13,23H2,1-2H3,(H,24,29)