3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic 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-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C19H22N4O5S/c1-12-5-7-14(29-12)13(24)6-8-15(25)28-10-4-9-23-18(26)16-17(20-11-21(16)2)22(3)19(23)27/h5,7,11H,4,6,8-10H2,1-3H3