2-cyano-4-(2,2-dimethylpropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

Systemtic Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide Openeye Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide CAS Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-(3-methoxyphenyl)ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide Traditional Name: 2-cyano-N-[2-(3-methoxyphenyl)ethyl]-4-(neopentylamino)pyrimidine-5-carboxamide Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC(=CC=C2)OC)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC(=CC=C2)OC)C#N

InChI

InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-9-8-14-6-5-7-15(10-14)27-4/h5-7,10,12H,8-9,13H2,1-4H3,(H,22,26)(H,23,24,25)