N-(3-bromanyl-4-methyl-phenyl)-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-bromo-4-methyl-phenyl)-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(3-bromo-4-methylphenyl)-5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(3-bromo-4-methylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-bromo-4-methyl-phenyl)-(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C22H20BrN3OS MolecularWeight: 454.3827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C=C4)C)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C=C4)C)Br)C

InChI

InChI=1S/C22H20BrN3OS/c1-4-27-17-9-6-15(7-10-17)19-14(3)28-22-20(19)21(24-12-25-22)26-16-8-5-13(2)18(23)11-16/h5-12H,4H2,1-3H3,(H,24,25,26)