2-[[3-[(5-bromanyl-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-5-(hydroxymethyl)phenyl]amino]ethanol

Systemtic Name: 2-[[3-[(5-bromanyl-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-5-(hydroxymethyl)phenyl]amino]ethanol Openeye Name: 2-[3-[(5-bromo-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-5-(hydroxymethyl)anilino]ethanol CAS Name: 2-[3-[(5-bromo-4-prop-2-ynoxy-2-pyrimidinyl)amino]-5-(hydroxymethyl)anilino]ethanol IUPAC Name: 2-[3-[(5-bromo-4-prop-2-ynoxypyrimidin-2-yl)amino]-5-(hydroxymethyl)anilino]ethanol Traditional Name: 2-[3-[(5-bromo-4-propargyloxy-pyrimidin-2-yl)amino]-5-methylol-anilino]ethanol Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=NC(=NC=C1Br)NC2=CC(=CC(=C2)CO)NCCO

Isomeric SMILES

C#CCOC1=NC(=NC=C1Br)NC2=CC(=CC(=C2)CO)NCCO

InChI

InChI=1S/C16H17BrN4O3/c1-2-5-24-15-14(17)9-19-16(21-15)20-13-7-11(10-23)6-12(8-13)18-3-4-22/h1,6-9,18,22-23H,3-5,10H2,(H,19,20,21)