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

Systemtic Name: methyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxobutyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-3-benzylsulfanylpropanoate Traditional Name: 2-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]butanoylamino]-3-(benzylthio)propionic acid methyl ester Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S2/c1-3-14(29-19-22-15(20)9-16(24)23-19)17(25)21-13(18(26)27-2)11-28-10-12-7-5-4-6-8-12/h4-9,13-14H,3,10-11H2,1-2H3,(H,21,25)(H3,20,22,23,24)