methyl 2-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylbutanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylbutanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylbutanoylamino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylbutanoylamino]-3-benzylsulfanylpropanoate Traditional Name: 2-[2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]butanoylamino]-3-(benzylthio)propionic acid methyl ester Formula: C25H28N4O4S2 MolecularWeight: 512.64422

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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(N2C3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

InChI

InChI=1S/C25H28N4O4S2/c1-3-20(35-25-28-22(30)14-21(26)29(25)18-12-8-5-9-13-18)23(31)27-19(24(32)33-2)16-34-15-17-10-6-4-7-11-17/h4-14,19-20H,3,15-16,26H2,1-2H3,(H,27,31)