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

Systemtic Name: ethyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)methylsulfanyl]acetate CAS Name: 2-[(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)methylsulfanyl]acetate Traditional Name: 2-[(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)methylthio]acetic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)CSCC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H22N4O4S/c1-3-27-15(24)12-28-11-14-20-17-16(18(25)21-19(26)22(17)2)23(14)10-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,21,25,26)