ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-5-iodanyl-phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-5-iodanyl-phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-amino-2-oxo-ethoxy)-3-ethoxy-5-iodo-phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2-amino-2-keto-ethoxy)-3-ethoxy-5-iodo-phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H26IN3O5S MolecularWeight: 547.40701

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)I)OCC(=O)N)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)I)OCC(=O)N)OCC)C(=O)OCC

InChI

InChI=1S/C20H26IN3O5S/c1-4-7-13-16(19(26)28-6-3)17(24-20(30)23-13)11-8-12(21)18(29-10-15(22)25)14(9-11)27-5-2/h8-9,17H,4-7,10H2,1-3H3,(H2,22,25)(H2,23,24,30)