3-methyl-1,7-bis(2-methyl-2-oxidanyl-propyl)purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(2-methyl-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 1,7-bis(2-hydroxy-2-methyl-propyl)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis(2-hydroxy-2-methylpropyl)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis(2-hydroxy-2-methylpropyl)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(2-hydroxy-2-methyl-propyl)-3-methyl-xanthine Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(C)(C)O)O

Isomeric SMILES

CC(C)(CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(C)(C)O)O

InChI

InChI=1S/C14H22N4O4/c1-13(2,21)6-17-8-15-10-9(17)11(19)18(7-14(3,4)22)12(20)16(10)5/h8,21-22H,6-7H2,1-5H3