2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(propylcarbamoyl)ethanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(propylcarbamoyl)acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(propylcarbamoyl)acetamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(propylcarbamoyl)acetamide Formula: C12H16N6O2S MolecularWeight: 308.35944

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NC=NC2=C1C=NN2C

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NC=NC2=C1C=NN2C

InChI

InChI=1S/C12H16N6O2S/c1-3-4-13-12(20)17-9(19)6-21-11-8-5-16-18(2)10(8)14-7-15-11/h5,7H,3-4,6H2,1-2H3,(H2,13,17,19,20)