5-chloranyl-6-ethyl-N-[1-(3-phenoxyphenyl)propyl]pyrimidin-4-amine; ethanedioic acid

Systemtic Name: 5-chloranyl-6-ethyl-N-[1-(3-phenoxyphenyl)propyl]pyrimidin-4-amine; ethanedioic acid Openeye Name: 5-chloro-6-ethyl-N-[1-(3-phenoxyphenyl)propyl]pyrimidin-4-amine; oxalic acid CAS Name: 5-chloro-6-ethyl-N-[1-(3-phenoxyphenyl)propyl]-4-pyrimidinamine; oxalic acid IUPAC Name: 5-chloro-6-ethyl-N-[1-(3-phenoxyphenyl)propyl]pyrimidin-4-amine; oxalic acid Traditional Name: (5-chloro-6-ethyl-pyrimidin-4-yl)-[1-(3-phenoxyphenyl)propyl]amine; oxalic acid Formula: C23H24ClN3O5 MolecularWeight: 457.90676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NC(CC)C2=CC(=CC=C2)OC3=CC=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=C(C(=NC=N1)NC(CC)C2=CC(=CC=C2)OC3=CC=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H22ClN3O.C2H2O4/c1-3-18(25-21-20(22)19(4-2)23-14-24-21)15-9-8-12-17(13-15)26-16-10-6-5-7-11-16;3-1(4)2(5)6/h5-14,18H,3-4H2,1-2H3,(H,23,24,25);(H,3,4)(H,5,6)