1-[4-[[5-ethyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-ethyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[5-ethyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-ethyl-4-(prop-2-ynylamino)-2-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-ethyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-ethyl-4-(propargylamino)pyrimidin-2-yl]amino]phenyl]ethanone Formula: C17H18N4O MolecularWeight: 294.35102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1NCC#C)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCC1=CN=C(N=C1NCC#C)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C17H18N4O/c1-4-10-18-16-13(5-2)11-19-17(21-16)20-15-8-6-14(7-9-15)12(3)22/h1,6-9,11H,5,10H2,2-3H3,(H2,18,19,20,21)