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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(S1)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCOC(=O)C1=CN=C(S1)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H14N6O3S2/c1-2-21-10(20)6-4-15-11(23-6)18-9(19)5-22-12-16-7(13)3-8(14)17-12/h3-4H,2,5H2,1H3,(H,15,18,19)(H4,13,14,16,17)