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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethyl-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethyl-2-(4-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethyl-2-pyridin-4-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(4-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-piperonyl-amine Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5)C

InChI

InChI=1S/C21H18N4O2S/c1-12-13(2)28-21-18(12)20(24-19(25-21)15-5-7-22-8-6-15)23-10-14-3-4-16-17(9-14)27-11-26-16/h3-9H,10-11H2,1-2H3,(H,23,24,25)