6-ethyl-5-methylsulfonyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 6-ethyl-5-methylsulfonyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 6-ethyl-5-methylsulfonyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-ethyl-5-methylsulfonyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 6-ethyl-5-methylsulfonyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 6-ethyl-5-mesyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C10H10N4O2S2 MolecularWeight: 282.342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1S(=O)(=O)C)C(=S)N=CN2)C#N

Isomeric SMILES

CCC1=C(C2=C(N1S(=O)(=O)C)C(=S)N=CN2)C#N

InChI

InChI=1S/C10H10N4O2S2/c1-3-7-6(4-11)8-9(10(17)13-5-12-8)14(7)18(2,15)16/h5H,3H2,1-2H3,(H,12,13,17)