3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic 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-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CSC3=CC=C(C=C3)OC

InChI

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