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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,2-dimethyl-3-oxidanyl-propyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-hydroxy-2,2-dimethyl-propyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-hydroxy-2,2-dimethylpropyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-hydroxy-2,2-dimethylpropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-propyl)-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:

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)NCC(C)(C)CO

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)NCC(C)(C)CO

InChI

InChI=1S/C21H24N4O4S/c1-12-16-18(22-7-13-4-5-14-15(6-13)29-11-28-14)24-10-25-20(16)30-17(12)19(27)23-8-21(2,3)9-26/h4-6,10,26H,7-9,11H2,1-3H3,(H,23,27)(H,22,24,25)