2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-allyl-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-thienylmethyl)acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-allyl-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-thenyl)acetamide Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N(CC=C)CC3=CC=CS3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N(CC=C)CC3=CC=CS3

InChI

InChI=1S/C16H17N5O2S/c1-3-6-20(9-12-5-4-7-24-12)14(22)10-21-11-17-15-13(16(21)23)8-18-19(15)2/h3-5,7-8,11H,1,6,9-10H2,2H3