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

Systemtic Name: 4-[4-[[2-azanyl-6-(5-chloranyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]butan-1-ol Openeye Name: 4-[4-[[2-amino-6-(5-chloro-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]butan-1-ol CAS Name: 4-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)-4-pyrimidinyl]amino]phenyl]-1-butanol IUPAC Name: 4-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]butan-1-ol Traditional Name: 4-[4-[[2-amino-6-(5-chloro-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]butan-1-ol Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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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)CCCCO

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O2/c1-2-29-20-11-8-16(23)13-18(20)19-14-21(27-22(24)26-19)25-17-9-6-15(7-10-17)5-3-4-12-28/h6-11,13-14,28H,2-5,12H2,1H3,(H3,24,25,26,27)