2-(1-adamantylamino)-4-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1-adamantylamino)-4-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(1-adamantylamino)-4-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(1-adamantylamino)-4-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(1-adamantylamino)-4-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(1-adamantylamino)-4-phenyl-pyrimidine-5-carbonitrile Formula: C21H22N4 MolecularWeight: 330.42618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=C(C(=N4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=C(C(=N4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C21H22N4/c22-12-18-13-23-20(24-19(18)17-4-2-1-3-5-17)25-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,13-16H,6-11H2,(H,23,24,25)