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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(2-dimethylaminoethyloxy)-4-methoxy-benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(2-dimethylaminoethyloxy)-4-methoxy-benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-3-(2-dimethylaminoethyloxy)-4-methoxybenzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(2-dimethylaminoethyloxy)-4-methoxybenzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-3-(2-dimethylaminoethyloxy)-4-methoxy-benzamide Formula: C23H32N6O3 MolecularWeight: 440.53858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O3/c1-23(2,3)15-27-21-17(13-25-20(12-24)28-21)14-26-22(30)16-7-8-18(31-6)19(11-16)32-10-9-29(4)5/h7-8,11,13H,9-10,14-15H2,1-6H3,(H,26,30)(H,25,27,28)