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

Systemtic Name: 1,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-[2-hydroxy-3-(4-methylpiperazino)propyl]-1,3-dimethyl-xanthine Formula: C22H31N7O3 MolecularWeight: 441.52664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CN1CCN(CC1)CC(CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C22H31N7O3/c1-25-9-11-28(12-10-25)14-17(30)15-29-18-19(26(2)22(32)27(3)20(18)31)24-21(29)23-13-16-7-5-4-6-8-16/h4-8,17,30H,9-15H2,1-3H3,(H,23,24)