3-methyl-8-[methyl-(phenylmethyl)amino]-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1N(C)CC3=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(4)20(28)22-18(16)27)21-19(25)23(3)10-14-8-6-5-7-9-14/h5-9,13,15,26H,10-12H2,1-4H3,(H,22,27,28)