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

Systemtic Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)CC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCN(CC)CC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C22H31N5O2/c1-4-6-14-26(5-2)16-18-23-20-19(21(28)24-22(29)25(20)3)27(18)15-10-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3,(H,24,28,29)