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

Systemtic Name: methyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C12H13N5O4S2 MolecularWeight: 355.39272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4S2/c1-5-9(10(20)21-2)23-12(14-5)17-8(19)4-22-11-15-6(13)3-7(18)16-11/h3H,4H2,1-2H3,(H,14,17,19)(H3,13,15,16,18)