3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C16H21N7O2S MolecularWeight: 375.44864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C16H21N7O2S/c1-3-4-5-6-13-20-21-16(26-13)19-12(24)7-8-23-10-17-14-11(15(23)25)9-18-22(14)2/h9-10H,3-8H2,1-2H3,(H,19,21,24)