N-(butylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(butylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(butylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(butylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(butylcarbamoyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C19H22N6O2S MolecularWeight: 398.48198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C19H22N6O2S/c1-3-4-10-20-19(27)24-17(26)13(2)28-18-15-11-23-25(16(15)21-12-22-18)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H2,20,24,26,27)