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

Systemtic Name: ethyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CSC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C16H21N5O3S2/c1-4-9-8(3)26-14(13(9)15(23)24-5-2)21-12(22)7-25-16-19-10(17)6-11(18)20-16/h6H,4-5,7H2,1-3H3,(H,21,22)(H4,17,18,19,20)