N-cycloheptyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-cycloheptyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-cycloheptyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-cycloheptyl-2-[2-[(3-methoxyphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-cycloheptyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-cycloheptyl-2-[4-keto-2-(m-anisylthio)-1H-pyrimidin-6-yl]acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3CCCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-27-18-10-6-7-15(11-18)14-28-21-23-17(13-20(26)24-21)12-19(25)22-16-8-4-2-3-5-9-16/h6-7,10-11,13,16H,2-5,8-9,12,14H2,1H3,(H,22,25)(H,23,24,26)