7-[2-(4-chlorophenyl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-8-(4-ethyl-1-piperazinyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-8-(4-ethylpiperazino)-1,3-dimethyl-xanthine Formula: C21H27ClN6O2S MolecularWeight: 462.99608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CCSC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2CCSC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27ClN6O2S/c1-4-26-9-11-27(12-10-26)20-23-18-17(19(29)25(3)21(30)24(18)2)28(20)13-14-31-16-7-5-15(22)6-8-16/h5-8H,4,9-14H2,1-3H3