methyl 3-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoylamino]propanoate

Systemtic Name: methyl 3-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoylamino]propanoate Openeye Name: methyl 3-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]propanoate CAS Name: 3-[[3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]propanoate Traditional Name: 3-[3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propanoylamino]propionic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-13-15(8-9-16(23)20-11-10-17(24)26-2)18(25)22-19(21-13)27-12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,20,23)(H,21,22,25)