8-azanyl-2-(2-butylsulfonylphenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(2-butylsulfonylphenyl)purin-6-one Openeye Name: 8-amino-2-(2-butylsulfonylphenyl)purin-6-one CAS Name: 8-amino-2-(2-butylsulfonylphenyl)-6-purinone IUPAC Name: 8-amino-2-(2-butylsulfonylphenyl)purin-6-one Traditional Name: 8-amino-2-(2-butylsulfonylphenyl)purin-6-one Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC=CC=C1C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CCCCS(=O)(=O)C1=CC=CC=C1C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C15H15N5O3S/c1-2-3-8-24(22,23)10-7-5-4-6-9(10)12-18-13-11(14(21)19-12)17-15(16)20-13/h4-7H,2-3,8H2,1H3,(H2,16,18,19,20,21)