6-azanyl-N-butylsulfonyl-8-oxidanylidene-9-(phenylmethyl)-7H-purine-2-carboxamide

Systemtic Name: 6-azanyl-N-butylsulfonyl-8-oxidanylidene-9-(phenylmethyl)-7H-purine-2-carboxamide Openeye Name: 6-amino-9-benzyl-N-butylsulfonyl-8-oxo-7H-purine-2-carboxamide CAS Name: 6-amino-N-butylsulfonyl-8-oxo-9-(phenylmethyl)-7H-purine-2-carboxamide IUPAC Name: 6-amino-9-benzyl-N-butylsulfonyl-8-oxo-7H-purine-2-carboxamide Traditional Name: 6-amino-9-benzyl-N-butylsulfonyl-8-keto-7H-purine-2-carboxamide Formula: C17H20N6O4S MolecularWeight: 404.4435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)C1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)C1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H20N6O4S/c1-2-3-9-28(26,27)22-16(24)14-20-13(18)12-15(21-14)23(17(25)19-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,19,25)(H,22,24)(H2,18,20,21)