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

Systemtic Name: ethyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)methylsulfanyl]acetate CAS Name: 2-[[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)methylsulfanyl]acetate Traditional Name: 2-[(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)methylthio]acetic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)CSCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H20N4O4S/c1-3-26-14(23)11-27-10-13-19-16-15(17(24)20-18(25)21(16)2)22(13)9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,20,24,25)