4-(3,4-dimethylphenoxy)-2-phenyl-N-prop-2-ynyl-pyrimidine-5-carboxamide

Systemtic Name: 4-(3,4-dimethylphenoxy)-2-phenyl-N-prop-2-ynyl-pyrimidine-5-carboxamide Openeye Name: 4-(3,4-dimethylphenoxy)-2-phenyl-N-prop-2-ynyl-pyrimidine-5-carboxamide CAS Name: 4-(3,4-dimethylphenoxy)-2-phenyl-N-prop-2-ynyl-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dimethylphenoxy)-2-phenyl-N-prop-2-ynylpyrimidine-5-carboxamide Traditional Name: 4-(3,4-dimethylphenoxy)-2-phenyl-N-propargyl-pyrimidine-5-carboxamide Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC(=NC=C2C(=O)NCC#C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC(=NC=C2C(=O)NCC#C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H19N3O2/c1-4-12-23-21(26)19-14-24-20(17-8-6-5-7-9-17)25-22(19)27-18-11-10-15(2)16(3)13-18/h1,5-11,13-14H,12H2,2-3H3,(H,23,26)