N-[5-[3-[(4-aminophenyl)sulfonyl-phenyl-amino]propyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]ethanamide

Systemtic Name: N-[5-[3-[(4-aminophenyl)sulfonyl-phenyl-amino]propyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]ethanamide Openeye Name: N-[5-[3-(N-(4-aminophenyl)sulfonylanilino)propyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]acetamide CAS Name: N-[5-[3-(N-(4-aminophenyl)sulfonylanilino)propyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]acetamide IUPAC Name: N-[5-[3-(N-(4-aminophenyl)sulfonylanilino)propyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]acetamide Traditional Name: N-[4-keto-6-methyl-5-[3-(N-sulfanilylanilino)propyl]-1H-pyrimidin-2-yl]acetamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC(=O)C)CCCN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC(=O)C)CCCN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C22H25N5O4S/c1-15-20(21(29)26-22(24-15)25-16(2)28)9-6-14-27(18-7-4-3-5-8-18)32(30,31)19-12-10-17(23)11-13-19/h3-5,7-8,10-13H,6,9,14,23H2,1-2H3,(H2,24,25,26,28,29)