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

Systemtic Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[butyl(ethyl)amino]methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[butyl(ethyl)amino]methyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[butyl(ethyl)amino]methyl]-3-methyl-xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCN(CC)CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H27N5O2/c1-4-6-12-24(5-2)14-16-21-18-17(19(26)22-20(27)23(18)3)25(16)13-15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3,(H,22,26,27)