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

Systemtic Name: 2-[4-azanyl-3-methyl-5-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide Openeye Name: 2-[4-amino-3-methyl-5-(p-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide CAS Name: 2-[[4-amino-3-methyl-5-(4-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-methoxyethyl)butanamide IUPAC Name: 2-[4-amino-3-methyl-5-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide Traditional Name: 2-[[4-amino-3-methyl-5-(p-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(2-methoxyethyl)butyramide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCOC)SC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)C)N)C

Isomeric SMILES

CCC(C(=O)NCCOC)SC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)C)N)C

InChI

InChI=1S/C20H26N6O2S/c1-5-15(19(27)22-10-11-28-4)29-20-23-18-16(13(3)24-25-18)17(21)26(20)14-8-6-12(2)7-9-14/h6-9,15H,5,10-11,21H2,1-4H3,(H,22,27)