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

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-(phenethylamino)xanthine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C20H27N5O4/c1-13(2)29-12-15(26)11-25-16-17(24(3)20(28)23-18(16)27)22-19(25)21-10-9-14-7-5-4-6-8-14/h4-8,13,15,26H,9-12H2,1-3H3,(H,21,22)(H,23,27,28)