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

Systemtic Name: 5-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-veratryl-3H-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)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2)OC

InChI

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