2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(2-methoxy-4-pyrrolidin-1-yl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(2-methoxy-4-pyrrolidin-1-yl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(2-methoxy-4-pyrrolidin-1-yl-phenyl)methyleneamino]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(E)-[2-methoxy-4-(1-pyrrolidinyl)phenyl]methylideneamino]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(2-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(E)-(2-methoxy-4-pyrrolidino-benzylidene)amino]acetamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=C(C=C(C=C2)N3CCCC3)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=C(C=C(C=C2)N3CCCC3)OC)C

InChI

InChI=1S/C20H25N5O2S/c1-14-10-15(2)23-20(22-14)28-13-19(26)24-21-12-16-6-7-17(11-18(16)27-3)25-8-4-5-9-25/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,24,26)/b21-12+