(2R)-2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: (2R)-2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: (2R)-2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)butanamide CAS Name: (2R)-2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: (2R)-2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: (2R)-2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(4-sulfamoylphenyl)butyramide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N

InChI

InChI=1S/C21H23N5O4S2/c1-3-17(20(28)24-14-7-9-16(10-8-14)32(23,29)30)31-21-25-19(27)12-18(22)26(21)15-6-4-5-13(2)11-15/h4-12,17H,3,22H2,1-2H3,(H,24,28)(H2,23,29,30)/t17-/m1/s1