4-[[4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]-5-propan-2-yl-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]-5-propan-2-yl-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-isopropyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-[3-(2-oxo-1-pyrrolidinyl)propylamino]-5-propan-2-yl-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-[3-(2-oxopyrrolidin-1-yl)propylamino]-5-propan-2-ylpyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-isopropyl-4-[3-(2-ketopyrrolidino)propylamino]pyrimidin-2-yl]amino]benzoic acid Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN=C(N=C1NCCCN2CCCC2=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CN=C(N=C1NCCCN2CCCC2=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H27N5O3/c1-14(2)17-13-23-21(24-16-8-6-15(7-9-16)20(28)29)25-19(17)22-10-4-12-26-11-3-5-18(26)27/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,28,29)(H2,22,23,24,25)