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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentyl-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-cyclopentyl-5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)NC5CCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C(=O)NC5CCCC5

InChI

InChI=1S/C21H22N4O3S/c1-12-17-19(22-9-13-6-7-15-16(8-13)28-11-27-15)23-10-24-21(17)29-18(12)20(26)25-14-4-2-3-5-14/h6-8,10,14H,2-5,9,11H2,1H3,(H,25,26)(H,22,23,24)