4-(2,2-dimethylpropylamino)-5-(3-pyridin-3-yloxyprop-1-ynyl)pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-(3-pyridin-3-yloxyprop-1-ynyl)pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[3-(3-pyridyloxy)prop-1-ynyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[3-(3-pyridinyloxy)prop-1-ynyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-(3-pyridin-3-yloxyprop-1-ynyl)pyrimidine-2-carbonitrile Traditional Name: 4-(neopentylamino)-5-[3-(3-pyridyloxy)prop-1-ynyl]pyrimidine-2-carbonitrile Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C#CCOC2=CN=CC=C2)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C#CCOC2=CN=CC=C2)C#N

InChI

InChI=1S/C18H19N5O/c1-18(2,3)13-22-17-14(11-21-16(10-19)23-17)6-5-9-24-15-7-4-8-20-12-15/h4,7-8,11-12H,9,13H2,1-3H3,(H,21,22,23)