4-(2,2-dimethylpropylamino)-5-[[[2-(4-methoxyphenyl)-2-methyl-propyl]amino]methyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[[[2-(4-methoxyphenyl)-2-methyl-propyl]amino]methyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[[[2-(4-methoxyphenyl)-2-methyl-propyl]amino]methyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]pyrimidine-2-carbonitrile Traditional Name: 5-[[[2-(4-methoxyphenyl)-2-methyl-propyl]amino]methyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CNCC(C)(C)C2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNCC(C)(C)C2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C22H31N5O/c1-21(2,3)14-26-20-16(13-25-19(11-23)27-20)12-24-15-22(4,5)17-7-9-18(28-6)10-8-17/h7-10,13,24H,12,14-15H2,1-6H3,(H,25,26,27)