5-chloranyl-2-morpholin-4-yl-N-[2-(phenylmethylsulfanyl)ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-morpholin-4-yl-N-[2-(phenylmethylsulfanyl)ethyl]pyrimidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-5-chloro-2-morpholino-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(4-morpholinyl)-N-[2-(phenylmethylthio)ethyl]-4-pyrimidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-5-chloro-2-morpholin-4-ylpyrimidine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-5-chloro-2-morpholino-pyrimidine-4-carboxamide Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C(=N2)C(=O)NCCSCC3=CC=CC=C3)Cl

Isomeric SMILES

C1COCCN1C2=NC=C(C(=N2)C(=O)NCCSCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O2S/c19-15-12-21-18(23-7-9-25-10-8-23)22-16(15)17(24)20-6-11-26-13-14-4-2-1-3-5-14/h1-5,12H,6-11,13H2,(H,20,24)