methyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C12H14N6O3S2 MolecularWeight: 354.40796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6O3S2/c1-5-9(10(20)21-2)23-12(15-5)18-8(19)4-22-11-16-6(13)3-7(14)17-11/h3H,4H2,1-2H3,(H,15,18,19)(H4,13,14,16,17)