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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[cyclopentyl(piperonyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4

InChI

InChI=1S/C26H25N3O3S/c30-25-24-20(18-6-2-1-3-7-18)15-33-26(24)28-23(27-25)14-29(19-8-4-5-9-19)13-17-10-11-21-22(12-17)32-16-31-21/h1-3,6-7,10-12,15,19H,4-5,8-9,13-14,16H2,(H,27,28,30)