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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-ethoxypropyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-ethoxypropyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-ethoxypropyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-ethoxypropyl)-5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-3-27-8-4-7-22-20(26)18-13(2)17-19(24-11-25-21(17)30-18)23-10-14-5-6-15-16(9-14)29-12-28-15/h5-6,9,11H,3-4,7-8,10,12H2,1-2H3,(H,22,26)(H,23,24,25)