N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C20H15ClN4O4S MolecularWeight: 442.8755

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H15ClN4O4S/c1-30-20-22-9-13(21)17(25-20)19(27)24-14-5-3-2-4-12(14)18(26)23-11-6-7-15-16(8-11)29-10-28-15/h2-9H,10H2,1H3,(H,23,26)(H,24,27)