5-[2-(2-azanylpyrimidin-5-yl)ethyl]-6-methyl-5-oxidanyl-3-oxidanylidene-heptanoic acid

Systemtic Name: 5-[2-(2-azanylpyrimidin-5-yl)ethyl]-6-methyl-5-oxidanyl-3-oxidanylidene-heptanoic acid Openeye Name: 5-[2-(2-aminopyrimidin-5-yl)ethyl]-5-hydroxy-6-methyl-3-oxo-heptanoic acid CAS Name: 5-[2-(2-amino-5-pyrimidinyl)ethyl]-5-hydroxy-6-methyl-3-oxoheptanoic acid IUPAC Name: 5-[2-(2-aminopyrimidin-5-yl)ethyl]-5-hydroxy-6-methyl-3-oxoheptanoic acid Traditional Name: 5-[2-(2-aminopyrimidin-5-yl)ethyl]-5-hydroxy-3-keto-6-methyl-enanthic acid Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC1=CN=C(N=C1)N)(CC(=O)CC(=O)O)O

Isomeric SMILES

CC(C)C(CCC1=CN=C(N=C1)N)(CC(=O)CC(=O)O)O

InChI

InChI=1S/C14H21N3O4/c1-9(2)14(21,6-11(18)5-12(19)20)4-3-10-7-16-13(15)17-8-10/h7-9,21H,3-6H2,1-2H3,(H,19,20)(H2,15,16,17)