N-[7-(2-phenylazanylpyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanamide

Systemtic Name: N-[7-(2-phenylazanylpyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanamide Openeye Name: N-[7-(2-anilinopyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]acetamide CAS Name: N-[7-(2-anilino-4-pyrimidinyl)-2,3-dihydro-1,4-benzodioxin-5-yl]acetamide IUPAC Name: N-[7-(2-anilinopyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]acetamide Traditional Name: N-[7-(2-anilinopyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]acetamide Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)C3=NC(=NC=C3)NC4=CC=CC=C4)OCCO2

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)C3=NC(=NC=C3)NC4=CC=CC=C4)OCCO2

InChI

InChI=1S/C20H18N4O3/c1-13(25)22-17-11-14(12-18-19(17)27-10-9-26-18)16-7-8-21-20(24-16)23-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H,22,25)(H,21,23,24)