1-[3-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-3-cyclopentyl-urea

Systemtic Name: 1-[3-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-3-cyclopentyl-urea Openeye Name: 1-[3-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-3-cyclopentyl-urea CAS Name: 1-[3-[[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]phenyl]-3-cyclopentylurea IUPAC Name: 1-[3-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-3-cyclopentylurea Traditional Name: 1-[3-[[[5-cyano-4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]methyl]phenyl]-3-cyclopentyl-urea Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC(=CC=C3)NC(=O)NC4CCCC4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC(=CC=C3)NC(=O)NC4CCCC4)C#N

InChI

InChI=1S/C25H25N5O3S/c1-33-20-11-5-7-17(13-20)22-21(14-26)23(31)30-25(29-22)34-15-16-6-4-10-19(12-16)28-24(32)27-18-8-2-3-9-18/h4-7,10-13,18H,2-3,8-9,15H2,1H3,(H2,27,28,32)(H,29,30,31)