2-[(1R)-1-(1,3-benzodioxol-5-ylmethylamino)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1R)-1-(1,3-benzodioxol-5-ylmethylamino)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1R)-1-(1,3-benzodioxol-5-ylmethylamino)ethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1R)-1-(1,3-benzodioxol-5-ylmethylamino)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1R)-1-(1,3-benzodioxol-5-ylmethylamino)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1R)-1-(piperonylamino)ethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H17N3O3S2/c1-11(21-8-12-4-5-14-15(7-12)26-10-25-14)18-22-19(24)17-13(9-28-20(17)23-18)16-3-2-6-27-16/h2-7,9,11,21H,8,10H2,1H3,(H,22,23,24)/t11-/m1/s1