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

Systemtic Name: ethyl [3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methylsulfanylmethanoate Openeye Name: ethyl (3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)methylsulfanylformate CAS Name: [(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)methylthio]formic acid ethyl ester IUPAC Name: ethyl (3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)methylsulfanylformate Traditional Name: [(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)methylthio]formic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SCC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)SCC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

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