ethyl [7-[(4-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methylsulfanylmethanoate

Systemtic Name: ethyl [7-[(4-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methylsulfanylmethanoate Openeye Name: ethyl [7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]methylsulfanylformate CAS Name: [[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]methylthio]formic acid ethyl ester IUPAC Name: ethyl [7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methylsulfanylformate Traditional Name: [[7-(4-chlorobenzyl)-2,6-diketo-3-methyl-purin-8-yl]methylthio]formic acid ethyl ester Formula: C17H17ClN4O4S MolecularWeight: 408.85928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SCC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)SCC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H17ClN4O4S/c1-3-26-17(25)27-9-12-19-14-13(15(23)20-16(24)21(14)2)22(12)8-10-4-6-11(18)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,20,23,24)