2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-piperonylpiperazino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C19H20N4O3S/c24-19-18-14(3-8-27-18)20-17(21-19)11-23-6-4-22(5-7-23)10-13-1-2-15-16(9-13)26-12-25-15/h1-3,8-9H,4-7,10-12H2,(H,20,21,24)