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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-cycloheptyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-cycloheptyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-cycloheptyl-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-cycloheptyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-cycloheptyl-5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)NC5CCCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)NC5CCCCCC5

InChI

InChI=1S/C23H26N4O3S/c1-14-19-21(24-11-15-8-9-17-18(10-15)30-13-29-17)25-12-26-23(19)31-20(14)22(28)27-16-6-4-2-3-5-7-16/h8-10,12,16H,2-7,11,13H2,1H3,(H,27,28)(H,24,25,26)