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

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-(2-oxolanylmethyl)propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(oxolan-2-ylmethyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(tetrahydrofurfuryl)propionamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NCC3CCCO3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NCC3CCCO3

InChI

InChI=1S/C20H25N3O3S/c1-14-17(9-10-18(24)21-12-16-8-5-11-26-16)19(25)23-20(22-14)27-13-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,21,24)(H,22,23,25)