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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-2-(4-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-2-pyridin-4-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: homopiperonyl-[5-methyl-2-(4-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=NC(=C12)NCCC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

Isomeric SMILES

CC1=CSC2=NC(=NC(=C12)NCCC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5

InChI

InChI=1S/C21H18N4O2S/c1-13-11-28-21-18(13)20(24-19(25-21)15-5-7-22-8-6-15)23-9-4-14-2-3-16-17(10-14)27-12-26-16/h2-3,5-8,10-11H,4,9,12H2,1H3,(H,23,24,25)