2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)pyrimidin-4-amine

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)pyrimidin-4-amine Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(4-ethoxyphenyl)pyrimidin-4-amine CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-5-(4-ethoxyphenyl)-4-pyrimidinamine IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(4-ethoxyphenyl)pyrimidin-4-amine Traditional Name: [2-[(3-bromo-4-methoxy-benzyl)thio]-5-p-phenetyl-pyrimidin-4-yl]amine Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CN=C(N=C2N)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CN=C(N=C2N)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-3-26-15-7-5-14(6-8-15)16-11-23-20(24-19(16)22)27-12-13-4-9-18(25-2)17(21)10-13/h4-11H,3,12H2,1-2H3,(H2,22,23,24)