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

Systemtic Name: diethyl 5-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H21N5O5S2 MolecularWeight: 439.50914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C17H21N5O5S2/c1-4-26-15(24)12-8(3)13(16(25)27-5-2)29-14(12)22-11(23)7-28-17-20-9(18)6-10(19)21-17/h6H,4-5,7H2,1-3H3,(H,22,23)(H4,18,19,20,21)