4-[4-(cyanomethoxy)-3-ethoxy-5-iodanyl-phenyl]-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-[4-(cyanomethoxy)-3-ethoxy-5-iodanyl-phenyl]-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-[4-(cyanomethoxy)-3-ethoxy-5-iodo-phenyl]-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-[4-(cyanomethoxy)-3-ethoxy-5-iodo-phenyl]-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C22H21IN4O3S MolecularWeight: 548.39661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3)I)OCC#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3)I)OCC#N

InChI

InChI=1S/C22H21IN4O3S/c1-3-29-17-12-14(11-16(23)20(17)30-10-9-24)19-18(13(2)25-22(31)27-19)21(28)26-15-7-5-4-6-8-15/h4-8,11-12,19H,3,10H2,1-2H3,(H,26,28)(H2,25,27,31)