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

Systemtic Name: 2-[4-azanyl-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-amino-5-(3-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-amino-5-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-cyclohexyl-acetamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3CCCCC3)C4=CC(=CC=C4)OC)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3CCCCC3)C4=CC(=CC=C4)OC)N

InChI

InChI=1S/C21H26N6O2S/c1-13-18-19(22)27(15-9-6-10-16(11-15)29-2)21(24-20(18)26-25-13)30-12-17(28)23-14-7-4-3-5-8-14/h6,9-11,14H,3-5,7-8,12,22H2,1-2H3,(H,23,28)