4-[4-[(4-chlorophenyl)methoxy]-3-iodanyl-5-methoxy-phenyl]-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-[(4-chlorophenyl)methoxy]-3-iodanyl-5-methoxy-phenyl]-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxy-phenyl]-1-methyl-2-methylsulfanyl-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carbonitrile Traditional Name: 4-[4-(4-chlorobenzyl)oxy-3-iodo-5-methoxy-phenyl]-6-keto-1-methyl-2-(methylthio)pyrimidine-5-carbonitrile Formula: C21H17ClIN3O3S MolecularWeight: 553.80045

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SC)C2=CC(=C(C(=C2)I)OCC3=CC=C(C=C3)Cl)OC)C#N

Isomeric SMILES

CN1C(=O)C(=C(N=C1SC)C2=CC(=C(C(=C2)I)OCC3=CC=C(C=C3)Cl)OC)C#N

InChI

InChI=1S/C21H17ClIN3O3S/c1-26-20(27)15(10-24)18(25-21(26)30-3)13-8-16(23)19(17(9-13)28-2)29-11-12-4-6-14(22)7-5-12/h4-9H,11H2,1-3H3