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

Systemtic Name: 2-[4-azanyl-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide Openeye Name: 2-[4-amino-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-methoxyethyl)butanamide IUPAC Name: 2-[4-amino-5-(4-ethoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide Traditional Name: 2-[(4-amino-3-methyl-5-p-phenetyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(2-methoxyethyl)butyramide Formula: C21H28N6O3S MolecularWeight: 444.55042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O3S/c1-5-16(20(28)23-11-12-29-4)31-21-24-19-17(13(3)25-26-19)18(22)27(21)14-7-9-15(10-8-14)30-6-2/h7-10,16H,5-6,11-12,22H2,1-4H3,(H,23,28)