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

Systemtic Name: 3-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid Openeye Name: 3-(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)propanoic acid CAS Name: 3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]propanoic acid IUPAC Name: 3-[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]propanoic acid Traditional Name: 3-(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)propionic acid Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-8(2)6-17-11-10(12(20)15(3)13(17)21)16(7-14-11)5-4-9(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)