[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrimidin-2-ylamino)butanoate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrimidin-2-ylamino)butanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-(pyrimidin-2-ylamino)butanoate CAS Name: 4-(2-pyrimidinylamino)butanoic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-(pyrimidin-2-ylamino)butanoate Traditional Name: 4-(2-pyrimidylamino)butyric acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CCCNC2=NC=CC=N2

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CCCNC2=NC=CC=N2

InChI

InChI=1S/C16H18ClN5O3/c1-11(15(24)22-13-6-5-12(17)10-21-13)25-14(23)4-2-7-18-16-19-8-3-9-20-16/h3,5-6,8-11H,2,4,7H2,1H3,(H,18,19,20)(H,21,22,24)