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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-[2-(methylthio)ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-[2-(methylthio)ethyl]-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S2/c1-11-15-17(21-8-12-3-4-13-14(7-12)26-10-25-13)22-9-23-19(15)28-16(11)18(24)20-5-6-27-2/h3-4,7,9H,5-6,8,10H2,1-2H3,(H,20,24)(H,21,22,23)