2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C17H20ClN5O3S2 MolecularWeight: 441.9554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)N

InChI

InChI=1S/C17H20ClN5O3S2/c1-11-8-15(19)22-17(20-11)27-10-16(24)21-14-9-12(4-5-13(14)18)28(25,26)23-6-2-3-7-23/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,21,24)(H2,19,20,22)