3-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-bromo-4,5-dimethoxy-benzyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)Br)OC

InChI

InChI=1S/C21H17BrN2O3S/c1-26-17-8-14(16(22)9-18(17)27-2)10-24-12-23-20-19(21(24)25)15(11-28-20)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3