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

Systemtic Name: 2-[4-azanyl-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-cyclopentyl-acetamide Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3CCCC3)C4=CC(=CC=C4)OC)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3CCCC3)C4=CC(=CC=C4)OC)N

InChI

InChI=1S/C20H24N6O2S/c1-12-17-18(21)26(14-8-5-9-15(10-14)28-2)20(23-19(17)25-24-12)29-11-16(27)22-13-6-3-4-7-13/h5,8-10,13H,3-4,6-7,11,21H2,1-2H3,(H,22,27)