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

Systemtic Name: 4-[2,2-dimethylpropyl-[[4-(3-piperidin-1-ylprop-1-ynyl)phenyl]methyl]amino]pyrimidine-2-carbonitrile Openeye Name: 4-[2,2-dimethylpropyl-[[4-[3-(1-piperidyl)prop-1-ynyl]phenyl]methyl]amino]pyrimidine-2-carbonitrile CAS Name: 4-[2,2-dimethylpropyl-[[4-[3-(1-piperidinyl)prop-1-ynyl]phenyl]methyl]amino]-2-pyrimidinecarbonitrile IUPAC Name: 4-[2,2-dimethylpropyl-[[4-(3-piperidin-1-ylprop-1-ynyl)phenyl]methyl]amino]pyrimidine-2-carbonitrile Traditional Name: 4-[neopentyl-[4-(3-piperidinoprop-1-ynyl)benzyl]amino]pyrimidine-2-carbonitrile Formula: C25H31N5 MolecularWeight: 401.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN(CC1=CC=C(C=C1)C#CCN2CCCCC2)C3=NC(=NC=C3)C#N

Isomeric SMILES

CC(C)(C)CN(CC1=CC=C(C=C1)C#CCN2CCCCC2)C3=NC(=NC=C3)C#N

InChI

InChI=1S/C25H31N5/c1-25(2,3)20-30(24-13-14-27-23(18-26)28-24)19-22-11-9-21(10-12-22)8-7-17-29-15-5-4-6-16-29/h9-14H,4-6,15-17,19-20H2,1-3H3