methyl 2-[2-[(5-cyano-4-oxidanylidene-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[(5-cyano-4-oxidanylidene-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]butanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[2-[(5-cyano-4-oxo-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]butanoylamino]-3-phenyl-propanoate CAS Name: 2-[[2-[(5-cyano-4-oxo-6-phenyl-5H-pyrimidin-2-yl)thio]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[2-[(5-cyano-4-oxo-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]butanoylamino]-3-phenylpropanoate Traditional Name: 2-[2-[(5-cyano-4-keto-6-phenyl-5H-pyrimidin-2-yl)thio]butanoylamino]-3-phenyl-propionic acid methyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C(C(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C(C(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H24N4O4S/c1-3-20(23(31)27-19(24(32)33-2)14-16-10-6-4-7-11-16)34-25-28-21(17-12-8-5-9-13-17)18(15-26)22(30)29-25/h4-13,18-20H,3,14H2,1-2H3,(H,27,31)