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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethyl-2-(2-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-homopiperonyl-amine Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCC3=CC4=C(C=C3)OCO4)C5=CC=CC=N5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCC3=CC4=C(C=C3)OCO4)C5=CC=CC=N5)C

InChI

InChI=1S/C22H20N4O2S/c1-13-14(2)29-22-19(13)21(25-20(26-22)16-5-3-4-9-23-16)24-10-8-15-6-7-17-18(11-15)28-12-27-17/h3-7,9,11H,8,10,12H2,1-2H3,(H,24,25,26)