3-methyl-7-(3-methylbut-2-enyl)-1-[2-[2-(oxidanylamino)phenyl]-2-oxidanylidene-ethyl]-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-[2-(oxidanylamino)phenyl]-2-oxidanylidene-ethyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-[2-[2-(hydroxyamino)phenyl]-2-oxo-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-[2-[2-(hydroxyamino)phenyl]-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-[2-[2-(hydroxyamino)phenyl]-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-[2-(hydroxyamino)phenyl]-2-keto-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C23H29N7O4 MolecularWeight: 467.52086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4NO)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4NO)C)C

InChI

InChI=1S/C23H29N7O4/c1-15(2)8-11-29-19-20(25-22(29)28-12-9-24-10-13-28)27(3)23(33)30(21(19)32)14-18(31)16-6-4-5-7-17(16)26-34/h4-8,24,26,34H,9-14H2,1-3H3