5-chloranyl-N-[2-(2-methylpropanoylamino)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(2-methylpropanoylamino)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(2-methylpropanoylamino)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(2-methylpropanoylamino)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-(isobutyrylamino)ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C12H17ClN4O2S MolecularWeight: 316.80698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=NC(=NC=C1Cl)SC

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=NC(=NC=C1Cl)SC

InChI

InChI=1S/C12H17ClN4O2S/c1-7(2)10(18)14-4-5-15-11(19)9-8(13)6-16-12(17-9)20-3/h6-7H,4-5H2,1-3H3,(H,14,18)(H,15,19)