9-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-3H-purine-2,6-dione

Systemtic Name: 9-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-3H-purine-2,6-dione Openeye Name: 9-[[5-(dimethylamino)-1-naphthyl]sulfonyl]-3H-purine-2,6-dione CAS Name: 9-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-3H-purine-2,6-dione IUPAC Name: 9-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-3H-purine-2,6-dione Traditional Name: 9-naphthionylxanthine Formula: C17H15N5O4S MolecularWeight: 385.3971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3C=NC4=C3NC(=O)NC4=O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3C=NC4=C3NC(=O)NC4=O

InChI

InChI=1S/C17H15N5O4S/c1-21(2)12-7-3-6-11-10(12)5-4-8-13(11)27(25,26)22-9-18-14-15(22)19-17(24)20-16(14)23/h3-9H,1-2H3,(H2,19,20,23,24)