3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxyphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethoxyphenyl)-3-piperonyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C22H18N2O5S/c1-26-16-6-4-14(8-18(16)27-2)15-10-30-21-20(15)22(25)24(11-23-21)9-13-3-5-17-19(7-13)29-12-28-17/h3-8,10-11H,9,12H2,1-2H3