4-[[2-azanyl-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol hydrochloride

Systemtic Name: 4-[[2-azanyl-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol hydrochloride Openeye Name: 4-[[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol hydrochloride CAS Name: 4-[[2-amino-5-[2-(4-bromophenyl)ethynyl]-4-pyrimidinyl]amino]-1-cyclohexanol hydrochloride IUPAC Name: 4-[[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol hydrochloride Traditional Name: 4-[[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol hydrochloride Formula: C18H20BrClN4O MolecularWeight: 423.7346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Br)N)O.Cl

Isomeric SMILES

C1CC(CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Br)N)O.Cl

InChI

InChI=1S/C18H19BrN4O.ClH/c19-14-5-2-12(3-6-14)1-4-13-11-21-18(20)23-17(13)22-15-7-9-16(24)10-8-15;/h2-3,5-6,11,15-16,24H,7-10H2,(H3,20,21,22,23);1H