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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(phenethylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(phenethylamino)xanthine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H25N5O2/c1-13(2)10-12-24-15-16(23(3)19(26)22-17(15)25)21-18(24)20-11-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,20,21)(H,22,25,26)