4-[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]phenyl]methyl]benzoic acid

Systemtic Name: 4-[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]phenyl]methyl]benzoic acid Openeye Name: 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]methyl]benzoic acid CAS Name: 4-[[4-(2,4-diamino-6-ethyl-5-pyrimidinyl)phenyl]methyl]benzoic acid IUPAC Name: 4-[[4-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]methyl]benzoic acid Traditional Name: 4-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)benzyl]benzoic acid Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20N4O2/c1-2-16-17(18(21)24-20(22)23-16)14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)19(25)26/h3-10H,2,11H2,1H3,(H,25,26)(H4,21,22,23,24)