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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-[3-(methylthio)propyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-N-(3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-[3-(methylthio)propyl]-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S2/c1-12-16-18(22-9-13-4-5-14-15(8-13)27-11-26-14)23-10-24-20(16)29-17(12)19(25)21-6-3-7-28-2/h4-5,8,10H,3,6-7,9,11H2,1-2H3,(H,21,25)(H,22,23,24)