3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-purine-2,6-dione Openeye Name: 3-methyl-7-(2,4,6-triisopropylphenyl)sulfonyl-purine-2,6-dione CAS Name: 3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpurine-2,6-dione IUPAC Name: 3-methyl-7-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpurine-2,6-dione Traditional Name: 3-methyl-7-(2,4,6-triisopropylphenyl)sulfonyl-xanthine Formula: C21H28N4O4S MolecularWeight: 432.53642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=NC3=C2C(=O)NC(=O)N3C)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=NC3=C2C(=O)NC(=O)N3C)C(C)C

InChI

InChI=1S/C21H28N4O4S/c1-11(2)14-8-15(12(3)4)18(16(9-14)13(5)6)30(28,29)25-10-22-19-17(25)20(26)23-21(27)24(19)7/h8-13H,1-7H3,(H,23,26,27)