2-[3-[[2-azanyl-6-(5-chloranyl-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol

Systemtic Name: 2-[3-[[2-azanyl-6-(5-chloranyl-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol Openeye Name: 2-[3-[[2-amino-6-(5-chloro-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol CAS Name: 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)-4-pyrimidinyl]amino]phenyl]propane-1,3-diol IUPAC Name: 2-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol Traditional Name: 2-[3-[[2-amino-6-(5-chloro-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]propane-1,3-diol Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=CC(=C3)C(CO)CO

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=CC(=C3)C(CO)CO

InChI

InChI=1S/C20H21ClN4O2/c1-12-5-6-15(21)8-17(12)18-9-19(25-20(22)24-18)23-16-4-2-3-13(7-16)14(10-26)11-27/h2-9,14,26-27H,10-11H2,1H3,(H3,22,23,24,25)