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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(isochroman-1-ylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(isochroman-1-ylmethyl)-5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)NCC5C6=CC=CC=C6CCO5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)NCC5C6=CC=CC=C6CCO5

InChI

InChI=1S/C26H24N4O4S/c1-15-22-24(27-11-16-6-7-19-20(10-16)34-14-33-19)29-13-30-26(22)35-23(15)25(31)28-12-21-18-5-3-2-4-17(18)8-9-32-21/h2-7,10,13,21H,8-9,11-12,14H2,1H3,(H,28,31)(H,27,29,30)