ethyl 2-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C)C(=O)OCC

InChI

InChI=1S/C18H21N5O5S/c1-5-10-7-11(17(26)28-6-2)15(29-10)20-12(24)8-23-16(25)13-14(19-9-21(13)3)22(4)18(23)27/h7,9H,5-6,8H2,1-4H3,(H,20,24)