N-[5-(3-azanylpropylsulfonyl)-2-ethoxy-phenyl]-5-(2-fluorophenyl)pyrimidin-2-amine

Systemtic Name: N-[5-(3-azanylpropylsulfonyl)-2-ethoxy-phenyl]-5-(2-fluorophenyl)pyrimidin-2-amine Openeye Name: N-[5-(3-aminopropylsulfonyl)-2-ethoxy-phenyl]-5-(2-fluorophenyl)pyrimidin-2-amine CAS Name: N-[5-(3-aminopropylsulfonyl)-2-ethoxyphenyl]-5-(2-fluorophenyl)-2-pyrimidinamine IUPAC Name: N-[5-(3-aminopropylsulfonyl)-2-ethoxyphenyl]-5-(2-fluorophenyl)pyrimidin-2-amine Traditional Name: [5-(3-aminopropylsulfonyl)-2-ethoxy-phenyl]-[5-(2-fluorophenyl)pyrimidin-2-yl]amine Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)CCCN)NC2=NC=C(C=N2)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)CCCN)NC2=NC=C(C=N2)C3=CC=CC=C3F

InChI

InChI=1S/C21H23FN4O3S/c1-2-29-20-9-8-16(30(27,28)11-5-10-23)12-19(20)26-21-24-13-15(14-25-21)17-6-3-4-7-18(17)22/h3-4,6-9,12-14H,2,5,10-11,23H2,1H3,(H,24,25,26)