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

Systemtic Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(piperonylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C21H17N3O3S/c25-20-19-15(14-4-2-1-3-5-14)11-28-21(19)24-18(23-20)10-22-9-13-6-7-16-17(8-13)27-12-26-16/h1-8,11,22H,9-10,12H2,(H,23,24,25)