(5E)-5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-ylidene)-4-oxidanylidene-thiophene-2-sulfonyl chloride

Systemtic Name: (5E)-5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-ylidene)-4-oxidanylidene-thiophene-2-sulfonyl chloride Openeye Name: (5E)-5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-ylidene)-4-oxo-thiophene-2-sulfonyl chloride CAS Name: (5E)-5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-ylidene)-4-oxo-2-thiophenesulfonyl chloride IUPAC Name: (5E)-5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-ylidene)-4-oxothiophene-2-sulfonyl chloride Traditional Name: (5E)-4-keto-5-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-ylidene)thiophene-2-sulfonyl chloride Formula: C13H13ClN4O4S2 MolecularWeight: 388.84972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=C3C(=O)C=C(S3)S(=O)(=O)Cl)NC2=O)C

Isomeric SMILES

CCCC1=NN(C2=C1N/C(=C\3/C(=O)C=C(S3)S(=O)(=O)Cl)/NC2=O)C

InChI

InChI=1S/C13H13ClN4O4S2/c1-3-4-6-9-10(18(2)17-6)13(20)16-12(15-9)11-7(19)5-8(23-11)24(14,21)22/h5,15H,3-4H2,1-2H3,(H,16,20)/b12-11+