(2R)-2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2R)-2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide CAS Name: (2R)-2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2R)-2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2R)-2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(4-sulfamoylphenyl)propionamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C21H23N5O4S2/c1-14(20(28)24-16-7-9-17(10-8-16)32(23,29)30)31-21-25-19(27)13-18(22)26(21)12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12,22H2,1H3,(H,24,28)(H2,23,29,30)/t14-/m1/s1