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

Systemtic Name: ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-1,7-bis(phenylmethyl)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(1,7-dibenzyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[[3-methyl-2,6-dioxo-1,7-bis(phenylmethyl)-8-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(1,7-dibenzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(1,7-dibenzyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid ethyl ester Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O4S/c1-3-32-19(29)16-33-23-25-21-20(27(23)14-17-10-6-4-7-11-17)22(30)28(24(31)26(21)2)15-18-12-8-5-9-13-18/h4-13H,3,14-16H2,1-2H3