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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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