(2R)-2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: (2R)-2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: (2R)-2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide CAS Name: (2R)-2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: (2R)-2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: (2R)-2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C17H21N5O4S2 MolecularWeight: 423.50974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2CC=C)N

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2CC=C)N

InChI

InChI=1S/C17H21N5O4S2/c1-3-9-22-14(18)10-15(23)21-17(22)27-13(4-2)16(24)20-11-5-7-12(8-6-11)28(19,25)26/h3,5-8,10,13H,1,4,9,18H2,2H3,(H,20,24)(H2,19,25,26)/t13-/m1/s1