5-chloranyl-2-methylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[[4-(morpholinomethyl)phenyl]methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[4-(4-morpholinylmethyl)phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[4-(morpholinomethyl)benzyl]pyrimidine-4-carboxamide Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)CN3CCOCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)CN3CCOCC3)Cl

InChI

InChI=1S/C18H21ClN4O2S/c1-26-18-21-11-15(19)16(22-18)17(24)20-10-13-2-4-14(5-3-13)12-23-6-8-25-9-7-23/h2-5,11H,6-10,12H2,1H3,(H,20,24)