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

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C19H25N5O4/c1-12(2)28-11-14(25)10-24-15-16(23(3)19(27)22-17(15)26)21-18(24)20-9-13-7-5-4-6-8-13/h4-8,12,14,25H,9-11H2,1-3H3,(H,20,21)(H,22,26,27)