8-(2-diethylaminoethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(2-diethylaminoethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylthio)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(2-diethylaminoethylthio)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C13H21N5O2S MolecularWeight: 311.40314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)CCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H21N5O2S/c1-5-18(6-2)7-8-21-12-14-9-10(15-12)16(3)13(20)17(4)11(9)19/h5-8H2,1-4H3,(H,14,15)