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

Systemtic Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-(4-propyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2,5-dimethylbenzyl)-3-methyl-8-(4-propylpiperazino)xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC(=C4)C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCCN1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC(=C4)C)C)C(=O)NC(=O)N3C

InChI

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