3-methyl-7-(3-methylbutyl)-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H25N5O2/c1-13(2)10-11-24-15-16(23(4)19(26)21-17(15)25)20-18(24)22(3)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,21,25,26)