7-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(3-chlorophenyl)piperazino]-3-keto-propyl]-1,3-dimethyl-xanthine Formula: C20H23ClN6O3 MolecularWeight: 430.88802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H23ClN6O3/c1-23-18-17(19(29)24(2)20(23)30)27(13-22-18)7-6-16(28)26-10-8-25(9-11-26)15-5-3-4-14(21)12-15/h3-5,12-13H,6-11H2,1-2H3