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

Systemtic Name: 7-butan-2-yl-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-3-methyl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-butan-2-yl-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-3-methyl-7-sec-butyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H23N5O2/c1-5-12(2)23-14-15(22(4)18(25)20-16(14)24)19-17(23)21(3)11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H,20,24,25)