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

Systemtic Name: propyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylsulfanyl]ethanoate Openeye Name: propyl 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylsulfanyl]acetate CAS Name: 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylthio]acetic acid propyl ester IUPAC Name: propyl 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylsulfanyl]acetate Traditional Name: 2-[(2,6-diketo-3-methyl-7H-purin-8-yl)methylthio]acetic acid propyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSCC1=NC2=C(N1)C(=O)NC(=O)N2C

Isomeric SMILES

CCCOC(=O)CSCC1=NC2=C(N1)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H16N4O4S/c1-3-4-20-8(17)6-21-5-7-13-9-10(14-7)16(2)12(19)15-11(9)18/h3-6H2,1-2H3,(H,13,14)(H,15,18,19)