methyl 2-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(6-amino-7H-purin-8-yl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C13H13N7O3S2 MolecularWeight: 379.41742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C(=O)OC

InChI

InChI=1S/C13H13N7O3S2/c1-5-8(11(22)23-2)25-13(17-5)18-6(21)3-24-12-19-7-9(14)15-4-16-10(7)20-12/h4H,3H2,1-2H3,(H,17,18,21)(H3,14,15,16,19,20)