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

Systemtic Name: methyl (2R)-2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl (2R)-2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-benzylsulfanyl-propanoate CAS Name: (2R)-2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-benzylsulfanylpropanoate Traditional Name: (2R)-2-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

COC(=O)[C@H](CSCC1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C17H20N4O4S2/c1-25-16(24)12(9-26-8-11-5-3-2-4-6-11)19-15(23)10-27-17-20-13(18)7-14(22)21-17/h2-7,12H,8-10H2,1H3,(H,19,23)(H3,18,20,21,22)/t12-/m0/s1