5-chloranyl-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[[(cyclopropylamino)-oxomethyl]amino]phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)NC(=O)NC3CC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)NC(=O)NC3CC3)Cl

InChI

InChI=1S/C16H16ClN5O2S/c1-25-16-18-8-12(17)13(22-16)14(23)19-9-2-4-10(5-3-9)20-15(24)21-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H,19,23)(H2,20,21,24)