3-methyl-7-(2-methylpropyl)-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-(phenethylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-8-(phenethylamino)xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-12(2)11-23-14-15(22(3)18(25)21-16(14)24)20-17(23)19-10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,19,20)(H,21,24,25)