2-azanyl-9-(4-methylphenyl)sulfonyl-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(4-methylphenyl)sulfonyl-3H-purin-6-one Openeye Name: 2-amino-9-(p-tolylsulfonyl)-3H-purin-6-one CAS Name: 2-amino-9-(4-methylphenyl)sulfonyl-3H-purin-6-one IUPAC Name: 2-amino-9-(4-methylphenyl)sulfonyl-3H-purin-6-one Traditional Name: 2-amino-9-tosyl-3H-purin-6-one Formula: C12H11N5O3S MolecularWeight: 305.31244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H11N5O3S/c1-7-2-4-8(5-3-7)21(19,20)17-6-14-9-10(17)15-12(13)16-11(9)18/h2-6H,1H3,(H3,13,15,16,18)