methyl 3-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]propanoate

Systemtic Name: methyl 3-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]propanoate Openeye Name: methyl 3-(3-isobutyl-1-methyl-2,6-dioxo-7H-purin-8-yl)propanoate CAS Name: 3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]propanoate Traditional Name: 3-(3-isobutyl-2,6-diketo-1-methyl-7H-purin-8-yl)propionic acid methyl ester Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4/c1-8(2)7-18-12-11(13(20)17(3)14(18)21)15-9(16-12)5-6-10(19)22-4/h8H,5-7H2,1-4H3,(H,15,16)