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

Systemtic Name: 4-[2,2-dimethylpropyl-[[4-(3-pyrrolidin-1-ylprop-1-ynyl)phenyl]methyl]amino]pyrimidine-2-carbonitrile Openeye Name: 4-[2,2-dimethylpropyl-[[4-(3-pyrrolidin-1-ylprop-1-ynyl)phenyl]methyl]amino]pyrimidine-2-carbonitrile CAS Name: 4-[2,2-dimethylpropyl-[[4-[3-(1-pyrrolidinyl)prop-1-ynyl]phenyl]methyl]amino]-2-pyrimidinecarbonitrile IUPAC Name: 4-[2,2-dimethylpropyl-[[4-(3-pyrrolidin-1-ylprop-1-ynyl)phenyl]methyl]amino]pyrimidine-2-carbonitrile Traditional Name: 4-[neopentyl-[4-(3-pyrrolidinoprop-1-ynyl)benzyl]amino]pyrimidine-2-carbonitrile Formula: C24H29N5 MolecularWeight: 387.52056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN(CC1=CC=C(C=C1)C#CCN2CCCC2)C3=NC(=NC=C3)C#N

Isomeric SMILES

CC(C)(C)CN(CC1=CC=C(C=C1)C#CCN2CCCC2)C3=NC(=NC=C3)C#N

InChI

InChI=1S/C24H29N5/c1-24(2,3)19-29(23-12-13-26-22(17-25)27-23)18-21-10-8-20(9-11-21)7-6-16-28-14-4-5-15-28/h8-13H,4-5,14-16,18-19H2,1-3H3