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

Systemtic Name: methyl 2-[3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]ethanoate Openeye Name: methyl 2-(3-isobutyl-2,6-dioxo-7H-purin-1-yl)acetate CAS Name: 2-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-1-yl]acetate Traditional Name: 2-(3-isobutyl-2,6-diketo-7H-purin-1-yl)acetic acid methyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC(=O)OC)NC=N2

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC(=O)OC)NC=N2

InChI

InChI=1S/C12H16N4O4/c1-7(2)4-15-10-9(13-6-14-10)11(18)16(12(15)19)5-8(17)20-3/h6-7H,4-5H2,1-3H3,(H,13,14)