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

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-propanoylpiperazin-1-yl)-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[4-(1-oxopropyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-(4-propionylpiperazino)xanthine Formula: C22H28N6O3 MolecularWeight: 424.49612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H28N6O3/c1-5-17(29)26-10-12-27(13-11-26)21-23-19-18(20(30)25(4)22(31)24(19)3)28(21)14-16-8-6-15(2)7-9-16/h6-9H,5,10-14H2,1-4H3