8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-[4-(2-phenoxyethyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C21H25ClN6O4 MolecularWeight: 460.914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C21H25ClN6O4/c1-24-18-17(19(30)25(2)21(24)31)28(20(22)23-18)14-16(29)27-10-8-26(9-11-27)12-13-32-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3