4-[2,2-dimethylpropyl-[[4-(3-imidazol-1-ylprop-1-ynyl)phenyl]methyl]amino]pyrimidine-2-carbonitrile

Systemtic Name: 4-[2,2-dimethylpropyl-[[4-(3-imidazol-1-ylprop-1-ynyl)phenyl]methyl]amino]pyrimidine-2-carbonitrile Openeye Name: 4-[2,2-dimethylpropyl-[[4-(3-imidazol-1-ylprop-1-ynyl)phenyl]methyl]amino]pyrimidine-2-carbonitrile CAS Name: 4-[2,2-dimethylpropyl-[[4-[3-(1-imidazolyl)prop-1-ynyl]phenyl]methyl]amino]-2-pyrimidinecarbonitrile IUPAC Name: 4-[2,2-dimethylpropyl-[[4-(3-imidazol-1-ylprop-1-ynyl)phenyl]methyl]amino]pyrimidine-2-carbonitrile Traditional Name: 4-[[4-(3-imidazol-1-ylprop-1-ynyl)benzyl]-neopentyl-amino]pyrimidine-2-carbonitrile Formula: C23H24N6 MolecularWeight: 384.47686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN(CC1=CC=C(C=C1)C#CCN2C=CN=C2)C3=NC(=NC=C3)C#N

Isomeric SMILES

CC(C)(C)CN(CC1=CC=C(C=C1)C#CCN2C=CN=C2)C3=NC(=NC=C3)C#N

InChI

InChI=1S/C23H24N6/c1-23(2,3)17-29(22-10-11-26-21(15-24)27-22)16-20-8-6-19(7-9-20)5-4-13-28-14-12-25-18-28/h6-12,14,18H,13,16-17H2,1-3H3