9-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione

Systemtic Name: 9-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione Openeye Name: 9-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione CAS Name: 9-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)-8H-purine-2,6-dione IUPAC Name: 9-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione Traditional Name: 9-[2-(4-chlorophenyl)-2-keto-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-8H-purine-2,6-quinone Formula: C23H29ClN6O3 MolecularWeight: 472.96776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(N(C2=C1C(=O)NC(=O)N2C)CC(=O)C3=CC=C(C=C3)Cl)N4CCNCC4)C

Isomeric SMILES

CC(=CCN1C(N(C2=C1C(=O)NC(=O)N2C)CC(=O)C3=CC=C(C=C3)Cl)N4CCNCC4)C

InChI

InChI=1S/C23H29ClN6O3/c1-15(2)8-11-29-19-20(32)26-22(33)27(3)21(19)30(23(29)28-12-9-25-10-13-28)14-18(31)16-4-6-17(24)7-5-16/h4-8,23,25H,9-14H2,1-3H3,(H,26,32,33)