[4-[4-(2-hydroxyethyloxy)-3-iodanyl-5-methoxy-phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone

Systemtic Name: [4-[4-(2-hydroxyethyloxy)-3-iodanyl-5-methoxy-phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone Openeye Name: [4-[4-(2-hydroxyethoxy)-3-iodo-5-methoxy-phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone CAS Name: [4-[4-(2-hydroxyethoxy)-3-iodo-5-methoxyphenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone IUPAC Name: [4-[4-(2-hydroxyethoxy)-3-iodo-5-methoxyphenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone Traditional Name: [4-[4-(2-hydroxyethoxy)-3-iodo-5-methoxy-phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone Formula: C26H23IN2O4S MolecularWeight: 586.44129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)I)OCCO

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)I)OCCO

InChI

InChI=1S/C26H23IN2O4S/c1-32-20-15-18(14-19(27)25(20)33-13-12-30)23-21(24(31)17-10-6-3-7-11-17)22(28-26(34)29-23)16-8-4-2-5-9-16/h2-11,14-15,23,30H,12-13H2,1H3,(H2,28,29,34)