4-(1,3-benzodioxol-5-ylmethylamino)-N-(furan-2-ylmethyl)-N,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(furan-2-ylmethyl)-N,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-furylmethyl)-N,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-furanylmethyl)-N,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(furan-2-ylmethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-furfuryl)-N,5-dimethyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)N(C)CC5=CC=CO5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)N(C)CC5=CC=CO5

InChI

InChI=1S/C22H20N4O4S/c1-13-18-20(23-9-14-5-6-16-17(8-14)30-12-29-16)24-11-25-21(18)31-19(13)22(27)26(2)10-15-4-3-7-28-15/h3-8,11H,9-10,12H2,1-2H3,(H,23,24,25)