2-[[(4-bromophenyl)amino]methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(4-bromophenyl)amino]methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-bromoanilino)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-bromoanilino)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-bromoanilino)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-bromoanilino)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CNC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CNC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H16BrN3O2S/c1-26-15-8-2-12(3-9-15)16-11-27-20-18(16)19(25)23-17(24-20)10-22-14-6-4-13(21)5-7-14/h2-9,11,22H,10H2,1H3,(H,23,24,25)