methyl 5-[2-(3-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(3-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 5-[[2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-(3-cyano-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)C#N)CC(=O)NC3=CC=C(S3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)C#N)CC(=O)NC3=CC=C(S3)C(=O)OC

InChI

InChI=1S/C16H13N5O4S/c1-8-10(15(23)21-14(19-8)9(6-17)7-18-21)5-12(22)20-13-4-3-11(26-13)16(24)25-2/h3-4,7,18H,5H2,1-2H3,(H,20,22)