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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-isopentyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(3-methylbutyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-isoamyl-5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-12(2)6-7-22-20(26)18-13(3)17-19(24-10-25-21(17)29-18)23-9-14-4-5-15-16(8-14)28-11-27-15/h4-5,8,10,12H,6-7,9,11H2,1-3H3,(H,22,26)(H,23,24,25)