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

Systemtic Name: methyl 2-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 2-[[3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 2-[3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propanoylamino]-3-phenyl-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)SC)CCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-12-14(17(24)22-19(20-12)27-3)9-10-16(23)21-15(18(25)26-2)11-13-7-5-4-6-8-13/h4-8,15H,9-11H2,1-3H3,(H,21,23)(H,20,22,24)