(E)-but-2-enedioic acid; 2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-pyrrolo[2,3-d]pyridazin-3-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-pyrrolo[2,3-d]pyridazin-3-amine Openeye Name: 7-benzyloxy-1-isobutyl-2-methyl-pyrrolo[2,3-d]pyridazin-3-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-methyl-1-(2-methylpropyl)-7-phenylmethoxy-3-pyrrolo[2,3-d]pyridazinamine IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-1-(2-methylpropyl)-7-phenylmethoxypyrrolo[2,3-d]pyridazin-3-amine Traditional Name: (7-benzoxy-1-isobutyl-2-methyl-pyrrolo[2,3-d]pyridazin-3-yl)amine; fumaric acid Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CN=NC(=C2N1CC(C)C)OCC3=CC=CC=C3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CN=NC(=C2N1CC(C)C)OCC3=CC=CC=C3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H22N4O.C4H4O4/c1-12(2)10-22-13(3)16(19)15-9-20-21-18(17(15)22)23-11-14-7-5-4-6-8-14;5-3(6)1-2-4(7)8/h4-9,12H,10-11,19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+