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

Systemtic Name: 4-[[2-azanyl-5-[2-(4-nitrophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol hydrochloride Openeye Name: 4-[[2-amino-5-[2-(4-nitrophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol hydrochloride CAS Name: 4-[[2-amino-5-[2-(4-nitrophenyl)ethynyl]-4-pyrimidinyl]amino]-1-cyclohexanol hydrochloride IUPAC Name: 4-[[2-amino-5-[2-(4-nitrophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol hydrochloride Traditional Name: 4-[[2-amino-5-[2-(4-nitrophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol hydrochloride Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)[N+](=O)[O-])N)O.Cl

Isomeric SMILES

C1CC(CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)[N+](=O)[O-])N)O.Cl

InChI

InChI=1S/C18H19N5O3.ClH/c19-18-20-11-13(4-1-12-2-7-15(8-3-12)23(25)26)17(22-18)21-14-5-9-16(24)10-6-14;/h2-3,7-8,11,14,16,24H,5-6,9-10H2,(H3,19,20,21,22);1H