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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-piperonyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O3S/c1-13-2-5-15(6-3-13)16-10-27-20-19(16)21(24)23(11-22-20)9-14-4-7-17-18(8-14)26-12-25-17/h2-8,10-11H,9,12H2,1H3