ethyl 3-[(5-cyano-6-phenylazanyl-4H-pyrimidin-3-yl)sulfanyl]-2-[(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(5-cyano-6-phenylazanyl-4H-pyrimidin-3-yl)sulfanyl]-2-[(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[(6-anilino-5-cyano-4H-pyrimidin-3-yl)sulfanyl]-2-(benzylamino)propanoate CAS Name: 3-[(6-anilino-5-cyano-4H-pyrimidin-3-yl)thio]-2-[(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(6-anilino-5-cyano-4H-pyrimidin-3-yl)sulfanyl]-2-(benzylamino)propanoate Traditional Name: 3-[(6-anilino-5-cyano-4H-pyrimidin-3-yl)thio]-2-(benzylamino)propionic acid ethyl ester Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSN1CC(=C(N=C1)NC2=CC=CC=C2)C#N)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CSN1CC(=C(N=C1)NC2=CC=CC=C2)C#N)NCC3=CC=CC=C3

InChI

InChI=1S/C23H25N5O2S/c1-2-30-23(29)21(25-14-18-9-5-3-6-10-18)16-31-28-15-19(13-24)22(26-17-28)27-20-11-7-4-8-12-20/h3-12,17,21,25,27H,2,14-16H2,1H3