(2R)-2-[4-azanyl-5-(phenylsulfonyl)pyrimidin-2-yl]sulfanyl-N-(5-chloranyl-2-methyl-phenyl)butanamide

Systemtic Name: (2R)-2-[4-azanyl-5-(phenylsulfonyl)pyrimidin-2-yl]sulfanyl-N-(5-chloranyl-2-methyl-phenyl)butanamide Openeye Name: (2R)-2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-methyl-phenyl)butanamide CAS Name: (2R)-2-[[4-amino-5-(benzenesulfonyl)-2-pyrimidinyl]thio]-N-(5-chloro-2-methylphenyl)butanamide IUPAC Name: (2R)-2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-methylphenyl)butanamide Traditional Name: (2R)-2-[(4-amino-5-besyl-pyrimidin-2-yl)thio]-N-(5-chloro-2-methyl-phenyl)butyramide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)Cl)C)SC2=NC=C(C(=N2)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)NC1=C(C=CC(=C1)Cl)C)SC2=NC=C(C(=N2)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O3S2/c1-3-17(20(27)25-16-11-14(22)10-9-13(16)2)30-21-24-12-18(19(23)26-21)31(28,29)15-7-5-4-6-8-15/h4-12,17H,3H2,1-2H3,(H,25,27)(H2,23,24,26)/t17-/m1/s1