4,6-dimethyl-N-phenyl-pyrimidin-2-amine; (E)-octadec-9-enoic acid

Systemtic Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; (E)-octadec-9-enoic acid Openeye Name: 4,6-dimethyl-N-phenyl-pyrimidin-2-amine; (E)-octadec-9-enoic acid CAS Name: 4,6-dimethyl-N-phenyl-2-pyrimidinamine; (E)-9-octadecenoic acid IUPAC Name: 4,6-dimethyl-N-phenylpyrimidin-2-amine; (E)-octadec-9-enoic acid Traditional Name: (4,6-dimethylpyrimidin-2-yl)-phenyl-amine; elaidic acid Formula: C30H47N3O2 MolecularWeight: 481.71308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CC1=CC(=NC(=N1)NC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CC1=CC(=NC(=N1)NC2=CC=CC=C2)C

InChI

InChI=1S/C18H34O2.C12H13N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-8H,1-2H3,(H,13,14,15)/b10-9+;