4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(2-oxidanylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(2-oxidanylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-hydroxybutyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-hydroxybutyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-hydroxybutyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-hydroxybutyl)-5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC4=C(C=C3)OCO4)C)O

Isomeric SMILES

CCC(CNC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC4=C(C=C3)OCO4)C)O

InChI

InChI=1S/C20H22N4O4S/c1-3-13(25)8-22-19(26)17-11(2)16-18(23-9-24-20(16)29-17)21-7-12-4-5-14-15(6-12)28-10-27-14/h4-6,9,13,25H,3,7-8,10H2,1-2H3,(H,22,26)(H,21,23,24)