N-cycloheptyl-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide

Systemtic Name: N-cycloheptyl-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-cycloheptyl-propanamide CAS Name: N-cycloheptyl-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-cycloheptylpropanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-cycloheptyl-propionamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3CCCCCC3

InChI

InChI=1S/C22H29N3O2S/c1-16-19(13-14-20(26)24-18-11-7-2-3-8-12-18)21(27)25-22(23-16)28-15-17-9-5-4-6-10-17/h4-6,9-10,18H,2-3,7-8,11-15H2,1H3,(H,24,26)(H,23,25,27)