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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-phenyl-2-[(4-piperonylpiperazino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4

InChI

InChI=1S/C25H24N4O3S/c30-24-19-13-22(18-4-2-1-3-5-18)33-25(19)27-23(26-24)15-29-10-8-28(9-11-29)14-17-6-7-20-21(12-17)32-16-31-20/h1-7,12-13H,8-11,14-16H2,(H,26,27,30)