1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[2-(4-morpholin-4-iumyl)ethylthio]-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(2-morpholin-4-ium-4-ylethylthio)-7-propyl-xanthine Formula: C16H26N5O3S+ MolecularWeight: 368.47434

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H25N5O3S/c1-4-5-21-12-13(18(2)16(23)19(3)14(12)22)17-15(21)25-11-8-20-6-9-24-10-7-20/h4-11H2,1-3H3/p+1