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

Systemtic Name: 1,3-dimethyl-7-[3-oxidanylidene-3-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[3-[4-(4-isopropylbenzoyl)piperazin-1-yl]-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-oxo-3-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]purine-2,6-dione Traditional Name: 7-[3-(4-cumoylpiperazino)-3-keto-propyl]-1,3-dimethyl-xanthine Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C24H30N6O4/c1-16(2)17-5-7-18(8-6-17)22(32)29-13-11-28(12-14-29)19(31)9-10-30-15-25-21-20(30)23(33)27(4)24(34)26(21)3/h5-8,15-16H,9-14H2,1-4H3