methyl 3-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C15H15N5O4S MolecularWeight: 361.3757

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C15H15N5O4S/c1-19-13-9(7-17-19)14(22)20(8-16-13)5-3-11(21)18-10-4-6-25-12(10)15(23)24-2/h4,6-8H,3,5H2,1-2H3,(H,18,21)