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

Systemtic Name: 3-[(3-bromophenyl)methyl]-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(3-bromophenyl)methyl]-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(3-bromophenyl)methyl]-5-(3,4-dimethoxyphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(3-bromophenyl)methyl]-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-bromobenzyl)-5-(3,4-dimethoxyphenyl)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)C2=CSC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)Br)OC

InChI

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