7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(4-tert-butylbenzyl)-1,3-dimethyl-8-piperazino-xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C

InChI

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