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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-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 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

InChI

InChI=1S/C19H24N4O4S/c1-5-7-13-10-14(28-12(13)2)18(25)27-9-6-8-23-17(24)15-16(20-11-21(15)3)22(4)19(23)26/h10-11H,5-9H2,1-4H3