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

Systemtic Name: 2-[4-azanyl-5-(2-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-amino-5-(2-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-benzyl-acetamide CAS Name: 2-[[4-amino-5-(2-ethylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-amino-5-(2-ethylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-benzylacetamide Traditional Name: 2-[[4-amino-5-(2-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-benzyl-acetamide Formula: C23H24N6OS MolecularWeight: 432.54126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NCC4=CC=CC=C4)C)N

Isomeric SMILES

CCC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NCC4=CC=CC=C4)C)N

InChI

InChI=1S/C23H24N6OS/c1-3-17-11-7-8-12-18(17)29-21(24)20-15(2)27-28-22(20)26-23(29)31-14-19(30)25-13-16-9-5-4-6-10-16/h4-12H,3,13-14,24H2,1-2H3,(H,25,30)