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

Systemtic Name: diethyl 5-azanyl-3-[(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C18H22N4O6S2 MolecularWeight: 454.52048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6S2/c1-4-26-15(23)9-7-21-18(22-13(9)19)29-8-10-11(16(24)27-5-2)14(20)30-12(10)17(25)28-6-3/h7H,4-6,8,20H2,1-3H3,(H2,19,21,22)