O2-[(4-azanyl-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[(4-azanyl-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(4-amino-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(4-amino-6-ethoxycarbonyl-5-methyl-2-thieno[2,3-d]pyrimidinyl)methyl] ester O4-methyl ester IUPAC Name: 2-O-[(4-amino-6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-2-yl)methyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(4-amino-6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl] ester O4-methyl ester Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N)C)C(=O)OC

InChI

InChI=1S/C21H24N4O6S/c1-6-11-13(19(26)29-5)9(3)15(23-11)20(27)31-8-12-24-17(22)14-10(4)16(21(28)30-7-2)32-18(14)25-12/h23H,6-8H2,1-5H3,(H2,22,24,25)