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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-hydroxyethyl)-N-isopropyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-yl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-hydroxyethyl)-N-isopropyl-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)N(CCO)C(C)C

Isomeric SMILES

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

InChI

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