3,7-dimethyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(4-methylthiazol-2-yl)sulfanylpropyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(4-methyl-2-thiazolyl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[(4-methylthiazol-2-yl)thio]propyl]xanthine Formula: C14H17N5O2S2 MolecularWeight: 351.44708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=CSC(=N1)SCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C14H17N5O2S2/c1-9-7-23-13(16-9)22-6-4-5-19-12(20)10-11(15-8-17(10)2)18(3)14(19)21/h7-8H,4-6H2,1-3H3