ethyl 2-[1,7-dihexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate

Systemtic Name: ethyl 2-[1,7-dihexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate Openeye Name: ethyl 2-(1,7-dihexyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylbutanoate CAS Name: 2-[(1,7-dihexyl-3-methyl-2,6-dioxo-8-purinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-(1,7-dihexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylbutanoate Traditional Name: 2-[(1,7-dihexyl-2,6-diketo-3-methyl-purin-8-yl)thio]butyric acid ethyl ester Formula: C24H40N4O4S MolecularWeight: 480.6638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)N(C2=O)CCCCCC)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)N(C2=O)CCCCCC)C

InChI

InChI=1S/C24H40N4O4S/c1-6-10-12-14-16-27-19-20(25-23(27)33-18(8-3)22(30)32-9-4)26(5)24(31)28(21(19)29)17-15-13-11-7-2/h18H,6-17H2,1-5H3