N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-2-pyridin-3-ylethenyl]-5-thiophen-2-yl-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-2-pyridin-3-ylethenyl]-5-thiophen-2-yl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-2-(3-pyridyl)vinyl]-5-(2-thienyl)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-5-thiophen-2-yl-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(E)-2-pyridin-3-ylethenyl]-5-thiophen-2-ylpyrimidin-4-amine Traditional Name: piperonyl-[2-[(E)-2-(3-pyridyl)vinyl]-5-(2-thienyl)pyrimidin-4-yl]amine Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=CS4)C=CC5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=CS4)/C=C/C5=CN=CC=C5

InChI

InChI=1S/C23H18N4O2S/c1-3-16(12-24-9-1)6-8-22-25-14-18(21-4-2-10-30-21)23(27-22)26-13-17-5-7-19-20(11-17)29-15-28-19/h1-12,14H,13,15H2,(H,25,26,27)/b8-6+