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

Systemtic Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-(2-methylbenzyl)xanthine Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)CC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCN(CC)CC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29N5O2/c1-5-7-12-25(6-2)14-17-22-19-18(20(27)23-21(28)24(19)4)26(17)13-16-11-9-8-10-15(16)3/h8-11H,5-7,12-14H2,1-4H3,(H,23,27,28)