3-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-phenyl-3-piperonyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

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