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

Systemtic Name: ethyl 2-[2-[3-butyl-7-cyclopentyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-butyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(3-butyl-7-cyclopentyl-2,6-dioxo-1-purinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-butyl-7-cyclopentyl-2,6-dioxopurin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-butyl-7-cyclopentyl-2,6-diketo-purin-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=C(C=CS3)C(=O)OCC)N(C=N2)C4CCCC4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=C(C=CS3)C(=O)OCC)N(C=N2)C4CCCC4

InChI

InChI=1S/C23H29N5O5S/c1-3-5-11-26-19-18(28(14-24-19)15-8-6-7-9-15)21(30)27(23(26)32)13-17(29)25-20-16(10-12-34-20)22(31)33-4-2/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,25,29)