3-methyl-8-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methylamino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methylamino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[[5-[(4-methylpiperazin-1-yl)methyl]-2-furyl]methylamino]purine-2,6-dione CAS Name: 3-methyl-8-[[5-[(4-methyl-1-piperazinyl)methyl]-2-furanyl]methylamino]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methylamino]purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-[[5-[(4-methylpiperazino)methyl]-2-furyl]methylamino]xanthine Formula: C24H29N7O3 MolecularWeight: 463.53216

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(O2)CNC3=NC4=C(N3CC5=CC=CC=C5)C(=O)NC(=O)N4C

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(O2)CNC3=NC4=C(N3CC5=CC=CC=C5)C(=O)NC(=O)N4C

InChI

InChI=1S/C24H29N7O3/c1-28-10-12-30(13-11-28)16-19-9-8-18(34-19)14-25-23-26-21-20(22(32)27-24(33)29(21)2)31(23)15-17-6-4-3-5-7-17/h3-9H,10-16H2,1-2H3,(H,25,26)(H,27,32,33)