N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-piperonyl-pyrimidine-4-carboxamide Formula: C16H14ClN3O3S MolecularWeight: 363.81866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C16H14ClN3O3S/c1-2-5-24-16-19-8-11(17)14(20-16)15(21)18-7-10-3-4-12-13(6-10)23-9-22-12/h2-4,6,8H,1,5,7,9H2,(H,18,21)