N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-5-thiophen-2-yl-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-5-thiophen-2-yl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-5-(2-thienyl)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-5-thiophen-2-yl-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-5-thiophen-2-ylpyrimidin-4-amine Traditional Name: [2-chloro-5-(2-thienyl)pyrimidin-4-yl]-piperonyl-amine Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=CS4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=CS4)Cl

InChI

InChI=1S/C16H12ClN3O2S/c17-16-19-8-11(14-2-1-5-23-14)15(20-16)18-7-10-3-4-12-13(6-10)22-9-21-12/h1-6,8H,7,9H2,(H,18,19,20)