3-[4-[[2-azanyl-6-(5-chloranyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]propan-1-ol

Systemtic Name: 3-[4-[[2-azanyl-6-(5-chloranyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]propan-1-ol Openeye Name: 3-[4-[[2-amino-6-(5-chloro-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]propan-1-ol CAS Name: 3-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)-4-pyrimidinyl]amino]phenyl]-1-propanol IUPAC Name: 3-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]propan-1-ol Traditional Name: 3-[4-[[2-amino-6-(5-chloro-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]propan-1-ol Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)CCCO

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)CCCO

InChI

InChI=1S/C21H23ClN4O2/c1-2-28-19-10-7-15(22)12-17(19)18-13-20(26-21(23)25-18)24-16-8-5-14(6-9-16)4-3-11-27/h5-10,12-13,27H,2-4,11H2,1H3,(H3,23,24,25,26)