3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-pyridin-3-yl-1-(pyridin-4-ylmethyl)urea; phosphoric acid

Systemtic Name: 3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-pyridin-3-yl-1-(pyridin-4-ylmethyl)urea; phosphoric acid Openeye Name: 3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-(3-pyridyl)-1-(4-pyridylmethyl)urea; phosphoric acid CAS Name: 3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-(3-pyridinyl)-1-(pyridin-4-ylmethyl)urea; phosphoric acid IUPAC Name: 3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-pyridin-3-yl-1-(pyridin-4-ylmethyl)urea; phosphoric acid Traditional Name: 3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-(3-pyridyl)-1-(4-pyridylmethyl)urea; phosphoric acid Formula: C23H35N4O15P3 MolecularWeight: 700.463083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(CC2=CC=NC=C2)C3=CN=CC=C3)OC.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(CC2=CC=NC=C2)C3=CN=CC=C3)OC.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C23H26N4O3.3H3O4P/c1-23(2,3)19-12-18(30-4)13-20(21(19)28)26-22(29)27(17-6-5-9-25-14-17)15-16-7-10-24-11-8-16;3*1-5(2,3)4/h5-14,28H,15H2,1-4H3,(H,26,29);3*(H3,1,2,3,4)