4-[ethyl-(3-methylphenyl)amino]-2-phenyl-N-prop-2-ynyl-pyrimidine-5-carboxamide

Systemtic Name: 4-[ethyl-(3-methylphenyl)amino]-2-phenyl-N-prop-2-ynyl-pyrimidine-5-carboxamide Openeye Name: 4-(N-ethyl-3-methyl-anilino)-2-phenyl-N-prop-2-ynyl-pyrimidine-5-carboxamide CAS Name: 4-(N-ethyl-3-methylanilino)-2-phenyl-N-prop-2-ynyl-5-pyrimidinecarboxamide IUPAC Name: 4-(N-ethyl-3-methylanilino)-2-phenyl-N-prop-2-ynylpyrimidine-5-carboxamide Traditional Name: 4-(N-ethyl-3-methyl-anilino)-2-phenyl-N-propargyl-pyrimidine-5-carboxamide Formula: C23H22N4O MolecularWeight: 370.44698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC(=NC=C2C(=O)NCC#C)C3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC(=NC=C2C(=O)NCC#C)C3=CC=CC=C3

InChI

InChI=1S/C23H22N4O/c1-4-14-24-23(28)20-16-25-21(18-11-7-6-8-12-18)26-22(20)27(5-2)19-13-9-10-17(3)15-19/h1,6-13,15-16H,5,14H2,2-3H3,(H,24,28)