1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-(4-chlorophenyl)-2-keto-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C23H27ClN6O3 MolecularWeight: 470.95188

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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=C(C=C4)Cl)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN6O3/c1-15(2)8-11-29-19-20(26-22(29)28-12-9-25-10-13-28)27(3)23(33)30(21(19)32)14-18(31)16-4-6-17(24)7-5-16/h4-8,25H,9-14H2,1-3H3