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

Systemtic Name: 7-butyl-3-methyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-butyl-3-methyl-purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-butyl-3-methylpurine-2,6-dione Traditional Name: 8-[(4-benzylpiperazino)methyl]-7-butyl-3-methyl-xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O2/c1-3-4-10-28-18(23-20-19(28)21(29)24-22(30)25(20)2)16-27-13-11-26(12-14-27)15-17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3,(H,24,29,30)