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

Systemtic Name: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazinyl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[(4-ethylpiperazino)methyl]-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H30N6O2/c1-5-26-10-12-27(13-11-26)15-18-23-20-19(21(29)25(4)22(30)24(20)3)28(18)14-17-8-6-16(2)7-9-17/h6-9H,5,10-15H2,1-4H3