N-cycloheptyl-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-cycloheptyl-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-cycloheptyl-acetamide CAS Name: N-cycloheptyl-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-cycloheptylacetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-cycloheptyl-acetamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c24-18(21-16-10-6-1-2-7-11-16)12-17-13-19(25)23-20(22-17)26-14-15-8-4-3-5-9-15/h3-5,8-9,13,16H,1-2,6-7,10-12,14H2,(H,21,24)(H,22,23,25)