N-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethyl-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethyl-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethyl-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethyl-2-(2-methyl-1-imidazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethyl-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CC4=C(C=C3)OCO4)N5C=CN=C5C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC4=C(C=C3)OCO4)N5C=CN=C5C)C

InChI

InChI=1S/C20H19N5O2S/c1-11-12(2)28-19-17(11)18(23-20(24-19)25-7-6-21-13(25)3)22-9-14-4-5-15-16(8-14)27-10-26-15/h4-8H,9-10H2,1-3H3,(H,22,23,24)