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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-3-piperonyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N2O3S MolecularWeight: 390.45492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H18N2O3S/c1-13-3-5-16(7-14(13)2)17-10-28-21-20(17)22(25)24(11-23-21)9-15-4-6-18-19(8-15)27-12-26-18/h3-8,10-11H,9,12H2,1-2H3