3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoic acid

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoic acid Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanoic acid CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanoic acid IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoic acid Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionic acid Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)O)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)O)CC(C)C

InChI

InChI=1S/C16H24N4O4/c1-4-5-8-19-14-13(15(23)18-16(19)24)20(9-10(2)3)11(17-14)6-7-12(21)22/h10H,4-9H2,1-3H3,(H,21,22)(H,18,23,24)