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

Systemtic Name: 4-[[5-methoxy-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-methoxy-4-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-methoxy-4-[3-(2-oxo-1-pyrrolidinyl)propylamino]-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-methoxy-4-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-[3-(2-ketopyrrolidino)propylamino]-5-methoxy-pyrimidin-2-yl]amino]benzoic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1NCCCN2CCCC2=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CN=C(N=C1NCCCN2CCCC2=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H23N5O4/c1-28-15-12-21-19(22-14-7-5-13(6-8-14)18(26)27)23-17(15)20-9-3-11-24-10-2-4-16(24)25/h5-8,12H,2-4,9-11H2,1H3,(H,26,27)(H2,20,21,22,23)