S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] 2-formamidoethanethioate

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] 2-formamidoethanethioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] 2-formamidoethanethioate CAS Name: 2-formamidoethanethioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] 2-formamidoethanethioate Traditional Name: 2-formamidoethanethioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C11H13N5O4S MolecularWeight: 311.31702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)CNC=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)CNC=O

InChI

InChI=1S/C11H13N5O4S/c1-14-9-8(10(19)15(2)11(14)20)16(4-13-9)6-21-7(18)3-12-5-17/h4-5H,3,6H2,1-2H3,(H,12,17)