5-[6-(2,2-dimethylpropanoylamino)-2-(ethylamino)pyrimidin-4-yl]pentanoic acid

Systemtic Name: 5-[6-(2,2-dimethylpropanoylamino)-2-(ethylamino)pyrimidin-4-yl]pentanoic acid Openeye Name: 5-[6-(2,2-dimethylpropanoylamino)-2-(ethylamino)pyrimidin-4-yl]pentanoic acid CAS Name: 5-[6-[(2,2-dimethyl-1-oxopropyl)amino]-2-(ethylamino)-4-pyrimidinyl]pentanoic acid IUPAC Name: 5-[6-(2,2-dimethylpropanoylamino)-2-(ethylamino)pyrimidin-4-yl]pentanoic acid Traditional Name: 5-[2-(ethylamino)-6-(pivaloylamino)pyrimidin-4-yl]valeric acid Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)NC(=O)C(C)(C)C)CCCCC(=O)O

Isomeric SMILES

CCNC1=NC(=CC(=N1)NC(=O)C(C)(C)C)CCCCC(=O)O

InChI

InChI=1S/C16H26N4O3/c1-5-17-15-18-11(8-6-7-9-13(21)22)10-12(20-15)19-14(23)16(2,3)4/h10H,5-9H2,1-4H3,(H,21,22)(H2,17,18,19,20,23)