3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxidanyl-2-phenyl-ethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxidanyl-2-phenyl-ethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-(2-hydroxy-2-phenyl-ethyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-(2-hydroxy-2-phenylethyl)-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-(2-hydroxy-2-phenylethyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(2-hydroxy-2-phenyl-ethyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(C4=CC=CC=C4)O)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(C4=CC=CC=C4)O)C)C

InChI

InChI=1S/C23H30N6O3/c1-16(2)9-12-28-19-20(25-22(28)27-13-10-24-11-14-27)26(3)23(32)29(21(19)31)15-18(30)17-7-5-4-6-8-17/h4-9,18,24,30H,10-15H2,1-3H3