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

Systemtic Name: propyl 3-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propanoate Openeye Name: propyl 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanoate CAS Name: 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanoic acid propyl ester IUPAC Name: propyl 3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanoate Traditional Name: 3-(2,6-diketo-3-methyl-7H-purin-8-yl)propionic acid propyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC1=NC2=C(N1)C(=O)NC(=O)N2C

Isomeric SMILES

CCCOC(=O)CCC1=NC2=C(N1)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H16N4O4/c1-3-6-20-8(17)5-4-7-13-9-10(14-7)16(2)12(19)15-11(9)18/h3-6H2,1-2H3,(H,13,14)(H,15,18,19)