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

Systemtic Name: methyl 2-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]propanoate CAS Name: 2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxobutyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]butanoylamino]propionic acid methyl ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2)C

Isomeric SMILES

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2)C

InChI

InChI=1S/C20H25N3O4S2/c1-4-16(29-20-21-13(2)10-17(24)23-20)18(25)22-15(19(26)27-3)12-28-11-14-8-6-5-7-9-14/h5-10,15-16H,4,11-12H2,1-3H3,(H,22,25)(H,21,23,24)