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[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl thiophene-2-carboxylate

[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl thiophene-2-carboxylate

Systemtic Name:[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl thiophene-2-carboxylate
Openeye Name:(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl thiophene-2-carboxylate
CAS Name:2-thiophenecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester
IUPAC Name:(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl thiophene-2-carboxylate
Traditional Name:thiophene-2-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester
Formula: C17H20N4O4S
MolecularWeight: 376.4301
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CS3)CC


Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CS3)CC


InChI

InChI=1S/C17H20N4O4S/c1-3-5-8-21-14-13(15(22)19-17(21)24)20(4-2)12(18-14)10-25-16(23)11-7-6-9-26-11/h6-7,9H,3-5,8,10H2,1-2H3,(H,19,22,24)


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