8-(ethylamino)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

Systemtic Name: 8-(ethylamino)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 8-(ethylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-(ethylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(ethylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C14H23N5O4 MolecularWeight: 325.36352

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H23N5O4/c1-5-15-13-16-11-10(12(21)17-14(22)18(11)4)19(13)6-9(20)7-23-8(2)3/h8-9,20H,5-7H2,1-4H3,(H,15,16)(H,17,21,22)