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

Systemtic Name: ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-1,7-dipentyl-purin-8-yl]sulfanylbutanoate Openeye Name: ethyl 2-(3-methyl-2,6-dioxo-1,7-dipentyl-purin-8-yl)sulfanylbutanoate CAS Name: 2-[(3-methyl-2,6-dioxo-1,7-dipentyl-8-purinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-2,6-dioxo-1,7-dipentylpurin-8-yl)sulfanylbutanoate Traditional Name: 2-[(1,7-diamyl-2,6-diketo-3-methyl-purin-8-yl)thio]butyric acid ethyl ester Formula: C22H36N4O4S MolecularWeight: 452.61064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)N(C2=O)CCCCC)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)N(C2=O)CCCCC)C

InChI

InChI=1S/C22H36N4O4S/c1-6-10-12-14-25-17-18(23-21(25)31-16(8-3)20(28)30-9-4)24(5)22(29)26(19(17)27)15-13-11-7-2/h16H,6-15H2,1-5H3