3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-morpholino-purine-2,6-dione CAS Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]-8-morpholino-xanthine Formula: C16H21N7O3S2 MolecularWeight: 423.51304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NN=C(S1)SCCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C16H21N7O3S2/c1-10-19-20-16(28-10)27-9-3-4-23-11-12(21(2)15(25)18-13(11)24)17-14(23)22-5-7-26-8-6-22/h3-9H2,1-2H3,(H,18,24,25)