4-(2,2-dimethylpropylamino)-5-[[2-(3-methoxyphenyl)ethylamino]methyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[[2-(3-methoxyphenyl)ethylamino]methyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[[2-(3-methoxyphenyl)ethylamino]methyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[[2-(3-methoxyphenyl)ethylamino]methyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[[2-(3-methoxyphenyl)ethylamino]methyl]pyrimidine-2-carbonitrile Traditional Name: 5-[[2-(3-methoxyphenyl)ethylamino]methyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CNCCC2=CC(=CC=C2)OC)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNCCC2=CC(=CC=C2)OC)C#N

InChI

InChI=1S/C20H27N5O/c1-20(2,3)14-24-19-16(13-23-18(11-21)25-19)12-22-9-8-15-6-5-7-17(10-15)26-4/h5-7,10,13,22H,8-9,12,14H2,1-4H3,(H,23,24,25)