N,N-dicyclohexyl-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: N,N-dicyclohexyl-2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N,N-dicyclohexyl-acetamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC(=C(C(=O)N3)CC4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC(=C(C(=O)N3)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H33N3O3S/c29-22(28(19-12-6-2-7-13-19)20-14-8-3-9-15-20)17-32-25-26-23(30)21(24(31)27-25)16-18-10-4-1-5-11-18/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2,(H2,26,27,30,31)