N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-chloro-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2-(propylthio)pyrimidine-4-carboxamide Formula: C20H25ClN4O3S2 MolecularWeight: 469.0205

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C20H25ClN4O3S2/c1-2-13-29-20-22-14-17(21)18(24-20)19(26)23-15-7-9-16(10-8-15)30(27,28)25-11-5-3-4-6-12-25/h7-10,14H,2-6,11-13H2,1H3,(H,23,26)