3-[(2-azanyl-5-fluoranyl-pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5-methyl-phenol

Systemtic Name: 3-[(2-azanyl-5-fluoranyl-pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5-methyl-phenol Openeye Name: 3-[(2-amino-5-fluoro-pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5-methyl-phenol CAS Name: 3-[(2-amino-5-fluoro-4-pyrimidinyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5-methylphenol IUPAC Name: 3-[(2-amino-5-fluoropyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5-methylphenol Traditional Name: 3-[(2-amino-5-fluoro-pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-5-methyl-phenol Formula: C19H17FN4O3 MolecularWeight: 368.361683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)O)N(C2=CC3=C(C=C2)OCCO3)C4=NC(=NC=C4F)N

Isomeric SMILES

CC1=CC(=CC(=C1)O)N(C2=CC3=C(C=C2)OCCO3)C4=NC(=NC=C4F)N

InChI

InChI=1S/C19H17FN4O3/c1-11-6-13(8-14(25)7-11)24(18-15(20)10-22-19(21)23-18)12-2-3-16-17(9-12)27-5-4-26-16/h2-3,6-10,25H,4-5H2,1H3,(H2,21,22,23)