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

Systemtic Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-phenacyl-xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)CC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCN(CC)CC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H27N5O3/c1-4-6-12-25(5-2)14-17-22-19-18(20(28)23-21(29)24(19)3)26(17)13-16(27)15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3,(H,23,28,29)