N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-5-pyridin-2-yl-thiophene-2-carboxamide

Systemtic Name: N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-5-pyridin-2-yl-thiophene-2-carboxamide Openeye Name: N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-5-(2-pyridyl)thiophene-2-carboxamide CAS Name: N-[4-[[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]phenyl]-5-(2-pyridinyl)-2-thiophenecarboxamide IUPAC Name: N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-5-pyridin-2-ylthiophene-2-carboxamide Traditional Name: N-[4-[[[5-cyano-4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]methyl]phenyl]-5-(2-pyridyl)thiophene-2-carboxamide Formula: C29H21N5O3S2 MolecularWeight: 551.63874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)NC(=O)C4=CC=C(S4)C5=CC=CC=N5)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)NC(=O)C4=CC=C(S4)C5=CC=CC=N5)C#N

InChI

InChI=1S/C29H21N5O3S2/c1-37-21-6-4-5-19(15-21)26-22(16-30)27(35)34-29(33-26)38-17-18-8-10-20(11-9-18)32-28(36)25-13-12-24(39-25)23-7-2-3-14-31-23/h2-15H,17H2,1H3,(H,32,36)(H,33,34,35)