2-[[2-(3-azanylpiperidin-1-yl)-5-bromanyl-4-tert-butyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(3-azanylpiperidin-1-yl)-5-bromanyl-4-tert-butyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(3-amino-1-piperidyl)-5-bromo-4-tert-butyl-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-(3-amino-1-piperidinyl)-5-bromo-4-tert-butyl-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-(3-aminopiperidin-1-yl)-5-bromo-4-tert-butyl-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-(3-aminopiperidino)-5-bromo-4-tert-butyl-6-keto-pyrimidin-1-yl]methyl]benzonitrile Formula: C21H26BrN5O MolecularWeight: 444.36804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(C(=N1)N2CCCC(C2)N)CC3=CC=CC=C3C#N)Br

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(C(=N1)N2CCCC(C2)N)CC3=CC=CC=C3C#N)Br

InChI

InChI=1S/C21H26BrN5O/c1-21(2,3)18-17(22)19(28)27(12-15-8-5-4-7-14(15)11-23)20(25-18)26-10-6-9-16(24)13-26/h4-5,7-8,16H,6,9-10,12-13,24H2,1-3H3