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

Systemtic Name: 1,3-dimethyl-7-(2-oxidanylidenepropyl)-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 7-acetonyl-8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-oxopropyl)-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-8-[(4-benzylpiperazino)methyl]-1,3-dimethyl-xanthine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O3/c1-16(29)13-28-18(23-20-19(28)21(30)25(3)22(31)24(20)2)15-27-11-9-26(10-12-27)14-17-7-5-4-6-8-17/h4-8H,9-15H2,1-3H3