N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-methoxy-3-(2-pyrrolidin-1-ylethoxy)benzamide

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-methoxy-3-(2-pyrrolidin-1-ylethoxy)benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-methoxy-3-(2-pyrrolidin-1-ylethoxy)benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-4-methoxy-3-[2-(1-pyrrolidinyl)ethoxy]benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-methoxy-3-(2-pyrrolidin-1-ylethoxy)benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-4-methoxy-3-(2-pyrrolidinoethoxy)benzamide Formula: C25H34N6O3 MolecularWeight: 466.57586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC(=C(C=C2)OC)OCCN3CCCC3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC(=C(C=C2)OC)OCCN3CCCC3)C#N

InChI

InChI=1S/C25H34N6O3/c1-25(2,3)17-29-23-19(15-27-22(14-26)30-23)16-28-24(32)18-7-8-20(33-4)21(13-18)34-12-11-31-9-5-6-10-31/h7-8,13,15H,5-6,9-12,16-17H2,1-4H3,(H,28,32)(H,27,29,30)