N-[2-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]-6-methanoyl-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]-6-methanoyl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]-6-formyl-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]-6-formylphenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]-6-formylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)butyl]-6-formyl-phenyl]-4-methyl-benzenesulfonamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2CCCCC3=C(NC(=NC3=O)N)N)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2CCCCC3=C(NC(=NC3=O)N)N)C=O

InChI

InChI=1S/C22H25N5O4S/c1-14-9-11-17(12-10-14)32(30,31)27-19-15(6-4-7-16(19)13-28)5-2-3-8-18-20(23)25-22(24)26-21(18)29/h4,6-7,9-13,27H,2-3,5,8H2,1H3,(H5,23,24,25,26,29)