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

Systemtic Name: 2-[4-azanyl-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclopentyl-butanamide Openeye Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclopentyl-butanamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-cyclopentylbutanamide IUPAC Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclopentylbutanamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-cyclopentyl-butyramide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OC)N)C

Isomeric SMILES

CCC(C(=O)NC1CCCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OC)N)C

InChI

InChI=1S/C22H28N6O2S/c1-4-17(21(29)24-14-7-5-6-8-14)31-22-25-20-18(13(2)26-27-20)19(23)28(22)15-9-11-16(30-3)12-10-15/h9-12,14,17H,4-8,23H2,1-3H3,(H,24,29)