3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-thiophen-2-ylethanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-thiophen-2-ylethanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CC3=CC=CS3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CC3=CC=CS3

InChI

InChI=1S/C16H18N4O4S/c1-18-10-17-14-13(18)15(22)20(16(23)19(14)2)6-4-7-24-12(21)9-11-5-3-8-25-11/h3,5,8,10H,4,6-7,9H2,1-2H3