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

Systemtic Name: methyl 3-[3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]propanoate Openeye Name: methyl 3-(3-isobutyl-2,6-dioxo-7H-purin-8-yl)propanoate CAS Name: 3-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]propanoate Traditional Name: 3-(3-isobutyl-2,6-diketo-7H-purin-8-yl)propionic acid methyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)CCC(=O)OC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)CCC(=O)OC

InChI

InChI=1S/C13H18N4O4/c1-7(2)6-17-11-10(12(19)16-13(17)20)14-8(15-11)4-5-9(18)21-3/h7H,4-6H2,1-3H3,(H,14,15)(H,16,19,20)