ethyl 4-methyl-2-[2-(7H-purin-6-ylsulfanyl)ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(7H-purin-6-ylsulfanyl)ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(7H-purin-6-ylthio)ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(7H-purin-6-ylsulfanyl)acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-(7H-purin-6-ylthio)acetyl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C14H14N6O3S2 MolecularWeight: 378.42936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC=NC3=C2NC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC=NC3=C2NC=N3)C

InChI

InChI=1S/C14H14N6O3S2/c1-3-23-13(22)10-7(2)19-14(25-10)20-8(21)4-24-12-9-11(16-5-15-9)17-6-18-12/h5-6H,3-4H2,1-2H3,(H,19,20,21)(H,15,16,17,18)