(2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-naphthalen-1-yl-butanamide

Systemtic Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(1-naphthyl)butanamide CAS Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: (2S)-2-[[5-cyano-6-(4-dimethylaminophenyl)-4-keto-1H-pyrimidin-2-yl]thio]-N-(1-naphthyl)butyramide Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC(=O)C(=C(N3)C4=CC=C(C=C4)N(C)C)C#N

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC(=O)C(=C(N3)C4=CC=C(C=C4)N(C)C)C#N

InChI

InChI=1S/C27H25N5O2S/c1-4-23(26(34)29-22-11-7-9-17-8-5-6-10-20(17)22)35-27-30-24(21(16-28)25(33)31-27)18-12-14-19(15-13-18)32(2)3/h5-15,23H,4H2,1-3H3,(H,29,34)(H,30,31,33)/t23-/m0/s1