1-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]ethyl propanoate

Systemtic Name: 1-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]ethyl propanoate Openeye Name: 1-(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)ethyl propanoate CAS Name: propanoic acid 1-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]ethyl ester IUPAC Name: 1-[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]ethyl propanoate Traditional Name: propionic acid 1-(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)ethyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)N1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CCC(=O)OC(C)N1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C15H22N4O4/c1-6-11(20)23-10(4)19-8-16-13-12(19)14(21)17(5)15(22)18(13)7-9(2)3/h8-10H,6-7H2,1-5H3