3,7-dimethyl-1-[2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1-[2-[4-(4-isopropylbenzoyl)piperazin-1-yl]-2-oxo-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-oxo-2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-oxo-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 1-[2-(4-cumoylpiperazino)-2-keto-ethyl]-3,7-dimethyl-xanthine Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C23H28N6O4/c1-15(2)16-5-7-17(8-6-16)21(31)28-11-9-27(10-12-28)18(30)13-29-22(32)19-20(24-14-25(19)3)26(4)23(29)33/h5-8,14-15H,9-13H2,1-4H3