N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-tert-butyl-4,5-dimethyl-N-piperonyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-11-16-12(2)23-20(21(3,4)5)24-19(16)28-17(11)18(25)22-9-13-6-7-14-15(8-13)27-10-26-14/h6-8H,9-10H2,1-5H3,(H,22,25)