(4-methylsulfanylphenyl) 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoate

Systemtic Name: (4-methylsulfanylphenyl) 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoate Openeye Name: (4-methylsulfanylphenyl) 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoate CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoate Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propionic acid [4-(methylthio)phenyl] ester Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)OC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H32N4O4S/c1-4-6-8-16-27-19(13-14-20(29)32-17-9-11-18(33-3)12-10-17)25-22-21(27)23(30)26-24(31)28(22)15-7-5-2/h9-12H,4-8,13-16H2,1-3H3,(H,26,30,31)