4-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]butanoic acid

Systemtic Name: 4-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]butanoic acid Openeye Name: 4-(3-methyl-2,6-dioxo-7-propyl-purin-1-yl)butanoic acid CAS Name: 4-(3-methyl-2,6-dioxo-7-propyl-1-purinyl)butanoic acid IUPAC Name: 4-(3-methyl-2,6-dioxo-7-propylpurin-1-yl)butanoic acid Traditional Name: 4-(2,6-diketo-3-methyl-7-propyl-purin-1-yl)butyric acid Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)O

InChI

InChI=1S/C13H18N4O4/c1-3-6-16-8-14-11-10(16)12(20)17(13(21)15(11)2)7-4-5-9(18)19/h8H,3-7H2,1-2H3,(H,18,19)