9-(2,4,6-trimethylphenyl)sulfonyl-3H-purine-2,6-dione

Systemtic Name: 9-(2,4,6-trimethylphenyl)sulfonyl-3H-purine-2,6-dione Openeye Name: 9-(2,4,6-trimethylphenyl)sulfonyl-3H-purine-2,6-dione CAS Name: 9-(2,4,6-trimethylphenyl)sulfonyl-3H-purine-2,6-dione IUPAC Name: 9-(2,4,6-trimethylphenyl)sulfonyl-3H-purine-2,6-dione Traditional Name: 9-mesitylsulfonylxanthine Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4S/c1-7-4-8(2)11(9(3)5-7)23(21,22)18-6-15-10-12(18)16-14(20)17-13(10)19/h4-6H,1-3H3,(H2,16,17,19,20)