N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromanyl-2-ethylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromanyl-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-bromo-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-(ethylthio)pyrimidine-4-carboxamide Formula: C19H23BrN4O3S2 MolecularWeight: 499.44492

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

InChI=1S/C19H23BrN4O3S2/c1-2-28-19-21-13-16(20)17(23-19)18(25)22-14-7-9-15(10-8-14)29(26,27)24-11-5-3-4-6-12-24/h7-10,13H,2-6,11-12H2,1H3,(H,22,25)