1-[3-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-amino-6-(3,5-dimethylphenoxy)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NC3=CC=CC(=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NC3=CC=CC(=C3)C(=O)C)C

InChI

InChI=1S/C20H20N4O2/c1-12-7-13(2)9-17(8-12)26-20-18(21)19(22-11-23-20)24-16-6-4-5-15(10-16)14(3)25/h4-11H,21H2,1-3H3,(H,22,23,24)