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

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(4-methylpiperazino)methyl]xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C

InChI

InChI=1S/C21H28N6O2/c1-15-5-7-16(8-6-15)13-27-17(14-26-11-9-23(2)10-12-26)22-19-18(27)20(28)25(4)21(29)24(19)3/h5-8H,9-14H2,1-4H3