4-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]benzoic acid Openeye Name: 4-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]benzoic acid CAS Name: 4-[2-[3-(dimethylamino)propylamino]-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]benzoic acid Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C)CCCNC1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H20N4O2/c1-20(2)11-3-9-17-16-18-10-8-14(19-16)12-4-6-13(7-5-12)15(21)22/h4-8,10H,3,9,11H2,1-2H3,(H,21,22)(H,17,18,19)