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

Systemtic Name: N-(1-adamantyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: N-(1-adamantyl)-3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(1-adamantyl)-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-(1-adamantyl)-3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(1-adamantyl)-3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propionamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O2S/c1-16-21(23(30)27-24(26-16)31-15-17-5-3-2-4-6-17)7-8-22(29)28-25-12-18-9-19(13-25)11-20(10-18)14-25/h2-6,18-20H,7-15H2,1H3,(H,28,29)(H,26,27,30)