1,3-dimethyl-8-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-8-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-1,3-dimethyl-xanthine Formula: C17H26N6O3S MolecularWeight: 394.49174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)N3CCN(CC3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)N3CCN(CC3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H26N6O3S/c1-11(2)23-13-14(20(4)17(26)21(5)15(13)25)18-16(23)27-10-12(24)22-8-6-19(3)7-9-22/h11H,6-10H2,1-5H3