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

Systemtic Name: methyl [7-but-2-enyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methylsulfanylmethanoate Openeye Name: methyl (7-but-2-enyl-3-methyl-2,6-dioxo-purin-8-yl)methylsulfanylformate CAS Name: [(7-but-2-enyl-3-methyl-2,6-dioxo-8-purinyl)methylthio]formic acid methyl ester IUPAC Name: methyl (7-but-2-enyl-3-methyl-2,6-dioxopurin-8-yl)methylsulfanylformate Traditional Name: [(7-but-2-enyl-2,6-diketo-3-methyl-purin-8-yl)methylthio]formic acid methyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C(=NC2=C1C(=O)NC(=O)N2C)CSC(=O)OC

Isomeric SMILES

CC=CCN1C(=NC2=C1C(=O)NC(=O)N2C)CSC(=O)OC

InChI

InChI=1S/C13H16N4O4S/c1-4-5-6-17-8(7-22-13(20)21-3)14-10-9(17)11(18)15-12(19)16(10)2/h4-5H,6-7H2,1-3H3,(H,15,18,19)