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

Systemtic Name: methyl 3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C15H15N5O5S MolecularWeight: 377.3751

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C15H15N5O5S/c1-18-12-10(13(22)19(2)15(18)24)20(7-16-12)6-9(21)17-8-4-5-26-11(8)14(23)25-3/h4-5,7H,6H2,1-3H3,(H,17,21)