(2R)-2-[4-azanyl-5-(phenylsulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)butanamide

Systemtic Name: (2R)-2-[4-azanyl-5-(phenylsulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Openeye Name: (2R)-2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)butanamide CAS Name: (2R)-2-[[4-amino-5-(benzenesulfonyl)-2-pyrimidinyl]thio]-N-(2,6-dimethylphenyl)butanamide IUPAC Name: (2R)-2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Traditional Name: (2R)-2-[(4-amino-5-besyl-pyrimidin-2-yl)thio]-N-(2,6-dimethylphenyl)butyramide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)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=C1C)C)SC2=NC=C(C(=N2)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S2/c1-4-17(21(27)25-19-14(2)9-8-10-15(19)3)30-22-24-13-18(20(23)26-22)31(28,29)16-11-6-5-7-12-16/h5-13,17H,4H2,1-3H3,(H,25,27)(H2,23,24,26)/t17-/m1/s1