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

Systemtic Name: (2R)-2-[4-azanyl-5-(phenylsulfonyl)pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)butanamide Openeye Name: (2R)-2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)butanamide CAS Name: (2R)-2-[[4-amino-5-(benzenesulfonyl)-2-pyrimidinyl]thio]-N-(4-methoxyphenyl)butanamide IUPAC Name: (2R)-2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)butanamide Traditional Name: (2R)-2-[(4-amino-5-besyl-pyrimidin-2-yl)thio]-N-(4-methoxyphenyl)butyramide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S2/c1-3-17(20(26)24-14-9-11-15(29-2)12-10-14)30-21-23-13-18(19(22)25-21)31(27,28)16-7-5-4-6-8-16/h4-13,17H,3H2,1-2H3,(H,24,26)(H2,22,23,25)/t17-/m1/s1