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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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