3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-(4-methylthiazol-2-yl)sulfanylethyl]-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-[2-[(4-methyl-2-thiazolyl)thio]ethyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-[(4-methylthiazol-2-yl)thio]ethyl]-8-pyrrolidino-xanthine Formula: C16H20N6O2S2 MolecularWeight: 392.499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C16H20N6O2S2/c1-10-9-26-16(17-10)25-8-7-22-11-12(20(2)15(24)19-13(11)23)18-14(22)21-5-3-4-6-21/h9H,3-8H2,1-2H3,(H,19,23,24)