ethyl 4-cyclopropyl-2-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C19H21N5O5S/c1-4-29-18(27)13-11(10-5-6-10)8-30-16(13)21-12(25)7-24-17(26)14-15(20-9-22(14)2)23(3)19(24)28/h8-10H,4-7H2,1-3H3,(H,21,25)