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

Systemtic Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[[butyl(ethyl)amino]methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[[butyl(ethyl)amino]methyl]-3-methyl-xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)CC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCN(CC)CC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H25N5O2/c1-5-8-10-20(7-3)11-12-17-14-13(21(12)9-6-2)15(22)18-16(23)19(14)4/h6H,2,5,7-11H2,1,3-4H3,(H,18,22,23)