dimethyl 5-azanyl-3-[(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-amino-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-amino-5-ethoxycarbonyl-2-pyrimidinyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-amino-5-carbethoxy-pyrimidin-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H18N4O6S2 MolecularWeight: 426.46732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C16H18N4O6S2/c1-4-26-13(21)7-5-19-16(20-11(7)17)27-6-8-9(14(22)24-2)12(18)28-10(8)15(23)25-3/h5H,4,6,18H2,1-3H3,(H2,17,19,20)