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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CCCSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2CCCSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C

InChI

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