(2R)-2-[4-azanyl-5-(phenylsulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)butanamide

Systemtic Name: (2R)-2-[4-azanyl-5-(phenylsulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)butanamide Openeye Name: (2R)-2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)butanamide CAS Name: (2R)-2-[[4-amino-5-(benzenesulfonyl)-2-pyrimidinyl]thio]-N-(2,5-dimethylphenyl)butanamide IUPAC Name: (2R)-2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)butanamide Traditional Name: (2R)-2-[(4-amino-5-besyl-pyrimidin-2-yl)thio]-N-(2,5-dimethylphenyl)butyramide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H24N4O3S2/c1-4-18(21(27)25-17-12-14(2)10-11-15(17)3)30-22-24-13-19(20(23)26-22)31(28,29)16-8-6-5-7-9-16/h5-13,18H,4H2,1-3H3,(H,25,27)(H2,23,24,26)/t18-/m1/s1