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

Systemtic Name: ethyl 2-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H15N7O3S2 MolecularWeight: 393.444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

InChI

InChI=1S/C14H15N7O3S2/c1-3-24-12(23)9-6(2)18-14(26-9)19-7(22)4-25-13-20-8-10(15)16-5-17-11(8)21-13/h5H,3-4H2,1-2H3,(H,18,19,22)(H3,15,16,17,20,21)