5-[5-methyl-2-oxidanylidene-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]pentanoic acid

Systemtic Name: 5-[5-methyl-2-oxidanylidene-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]pentanoic acid Openeye Name: 5-[5-methyl-2-oxo-4-[2-(2-pyridylamino)ethylamino]pyrimidin-1-yl]pentanoic acid CAS Name: 5-[5-methyl-2-oxo-4-[2-(2-pyridinylamino)ethylamino]-1-pyrimidinyl]pentanoic acid IUPAC Name: 5-[5-methyl-2-oxo-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]pentanoic acid Traditional Name: 5-[2-keto-5-methyl-4-[2-(2-pyridylamino)ethylamino]pyrimidin-1-yl]valeric acid Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1NCCNC2=CC=CC=N2)CCCCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N=C1NCCNC2=CC=CC=N2)CCCCC(=O)O

InChI

InChI=1S/C17H23N5O3/c1-13-12-22(11-5-3-7-15(23)24)17(25)21-16(13)20-10-9-19-14-6-2-4-8-18-14/h2,4,6,8,12H,3,5,7,9-11H2,1H3,(H,18,19)(H,23,24)(H,20,21,25)