4-[2,6-bis(oxidanylidene)-1-propyl-3,7-dihydropurin-8-yl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1-propyl-3,7-dihydropurin-8-yl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonamide CAS Name: 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonamide Traditional Name: N-benzyl-4-(2,6-diketo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4S/c1-2-12-26-20(27)17-19(25-21(26)28)24-18(23-17)15-8-10-16(11-9-15)31(29,30)22-13-14-6-4-3-5-7-14/h3-11,22H,2,12-13H2,1H3,(H,23,24)(H,25,28)