7-[(2,5-dimethylphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2,5-dimethylphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2,5-dimethylphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[(2,5-dimethylphenyl)methyl]-8-(4-ethyl-1-piperazinyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2,5-dimethylphenyl)methyl]-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-(2,5-dimethylbenzyl)-8-(4-ethylpiperazino)-3-methyl-xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC(=C4)C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC(=C4)C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H28N6O2/c1-5-25-8-10-26(11-9-25)20-22-18-17(19(28)23-21(29)24(18)4)27(20)13-16-12-14(2)6-7-15(16)3/h6-7,12H,5,8-11,13H2,1-4H3,(H,23,28,29)