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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H25N5O2/c1-4-5-9-12-24-15-16(23(3)19(26)21-17(15)25)20-18(24)22(2)13-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,21,25,26)