3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-ethyl-5-propyl-thiophene-2-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-ethyl-5-propyl-thiophene-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-ethyl-5-propyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-propyl-2-thiophenecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-ethyl-5-propylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-propyl-thiophene-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)CC

InChI

InChI=1S/C20H26N4O4S/c1-5-8-14-13(6-2)11-15(29-14)19(26)28-10-7-9-24-18(25)16-17(21-12-22(16)3)23(4)20(24)27/h11-12H,5-10H2,1-4H3