ethyl 4-cyano-5-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H24N6O5S2 MolecularWeight: 504.58246

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H24N6O5S2/c1-6-8-27-14-16(25(4)21(31)26(5)18(14)29)24-20(27)33-10-13(28)23-17-12(9-22)11(3)15(34-17)19(30)32-7-2/h6-8,10H2,1-5H3,(H,23,28)