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

Systemtic Name: 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-[2-(p-tolylsulfanyl)ethyl]purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazinyl)-1,3-dimethyl-7-[2-[(4-methylphenyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-(4-ethylpiperazino)-1,3-dimethyl-7-[2-(p-tolylthio)ethyl]xanthine Formula: C22H30N6O2S MolecularWeight: 442.5776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2S/c1-5-26-10-12-27(13-11-26)21-23-19-18(20(29)25(4)22(30)24(19)3)28(21)14-15-31-17-8-6-16(2)7-9-17/h6-9H,5,10-15H2,1-4H3