5-chloranyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-(4-morpholinosulfonylphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(4-morpholinylsulfonyl)phenyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(4-morpholinosulfonylphenyl)pyrimidine-4-carboxamide Formula: C18H19ClN4O4S2 MolecularWeight: 454.95086

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H19ClN4O4S2/c1-2-11-28-18-20-12-15(19)16(22-18)17(24)21-13-3-5-14(6-4-13)29(25,26)23-7-9-27-10-8-23/h2-6,12H,1,7-11H2,(H,21,24)