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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-piperonyl-pyrimidine-4-carboxamide Formula: C15H14ClN3O3S MolecularWeight: 351.80796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN3O3S/c1-2-23-15-18-7-10(16)13(19-15)14(20)17-6-9-3-4-11-12(5-9)22-8-21-11/h3-5,7H,2,6,8H2,1H3,(H,17,20)