4-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]-methoxy-methyl]-5-methoxy-phenyl]benzoic acid

Systemtic Name: 4-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]-methoxy-methyl]-5-methoxy-phenyl]benzoic acid Openeye Name: 4-[3-[(2,4-diaminopyrimidin-5-yl)-methoxy-methyl]-5-methoxy-phenyl]benzoic acid CAS Name: 4-[3-[(2,4-diamino-5-pyrimidinyl)-methoxymethyl]-5-methoxyphenyl]benzoic acid IUPAC Name: 4-[3-[(2,4-diaminopyrimidin-5-yl)-methoxymethyl]-5-methoxyphenyl]benzoic acid Traditional Name: 4-[3-[(2,4-diaminopyrimidin-5-yl)-methoxy-methyl]-5-methoxy-phenyl]benzoic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(C2=CN=C(N=C2N)N)OC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1)C(C2=CN=C(N=C2N)N)OC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20N4O4/c1-27-15-8-13(11-3-5-12(6-4-11)19(25)26)7-14(9-15)17(28-2)16-10-23-20(22)24-18(16)21/h3-10,17H,1-2H3,(H,25,26)(H4,21,22,23,24)