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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethoxyphenyl)-3-(phenylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-benzyl-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2O3S MolecularWeight: 378.44422

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-25-17-9-8-15(10-18(17)26-2)16-12-27-20-19(16)21(24)23(13-22-20)11-14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3