3,7-dimethyl-8-(4-methylpiperazin-1-yl)-1-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(4-methylpiperazin-1-yl)-1-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 1-[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-3,7-dimethyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3,7-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 1-[2-hydroxy-3-(4-methylpiperazino)propyl]-3,7-dimethyl-8-(4-methylpiperazino)xanthine Formula: C20H34N8O3 MolecularWeight: 434.53576

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CN2C(=O)C3=C(N=C(N3C)N4CCN(CC4)C)N(C2=O)C)O

Isomeric SMILES

CN1CCN(CC1)CC(CN2C(=O)C3=C(N=C(N3C)N4CCN(CC4)C)N(C2=O)C)O

InChI

InChI=1S/C20H34N8O3/c1-22-5-9-26(10-6-22)13-15(29)14-28-18(30)16-17(25(4)20(28)31)21-19(24(16)3)27-11-7-23(2)8-12-27/h15,29H,5-14H2,1-4H3