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

Systemtic Name: ethyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27N5O6S2 MolecularWeight: 521.60968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O6S2/c1-7-9-27-15-17(25(5)22(32)26(6)19(15)30)24-21(27)34-10-13(29)23-18-14(20(31)33-8-2)11(3)16(35-18)12(4)28/h7-10H2,1-6H3,(H,23,29)