7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-nitrosopiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-nitrosopiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)-2-oxo-ethyl]-1,3-dimethyl-8-(4-nitrosopiperazin-1-yl)purine-2,6-dione CAS Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-nitroso-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-nitrosopiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[2-(4-chlorophenyl)-2-keto-ethyl]-1,3-dimethyl-8-(4-nitrosopiperazino)xanthine Formula: C19H20ClN7O4 MolecularWeight: 445.8596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN7O4/c1-23-16-15(17(29)24(2)19(23)30)27(11-14(28)12-3-5-13(20)6-4-12)18(21-16)25-7-9-26(22-31)10-8-25/h3-6H,7-11H2,1-2H3