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

Systemtic Name: N-[3-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]naphthalene-2-carboxamide Openeye Name: N-[3-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]naphthalene-2-carboxamide CAS Name: N-[3-[[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]phenyl]-2-naphthalenecarboxamide IUPAC Name: N-[3-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]naphthalene-2-carboxamide Traditional Name: N-[3-[[[5-cyano-4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]methyl]phenyl]-2-naphthamide Formula: C30H22N4O3S MolecularWeight: 518.58568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC(=CC=C3)NC(=O)C4=CC5=CC=CC=C5C=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC(=CC=C3)NC(=O)C4=CC5=CC=CC=C5C=C4)C#N

InChI

InChI=1S/C30H22N4O3S/c1-37-25-11-5-9-22(16-25)27-26(17-31)29(36)34-30(33-27)38-18-19-6-4-10-24(14-19)32-28(35)23-13-12-20-7-2-3-8-21(20)15-23/h2-16H,18H2,1H3,(H,32,35)(H,33,34,36)