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

Systemtic Name: 4-[[2-azanyl-5-[2-(4-nitrophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[2-amino-5-[2-(4-nitrophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol CAS Name: 4-[[2-amino-5-[2-(4-nitrophenyl)ethynyl]-4-pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[2-amino-5-[2-(4-nitrophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[2-amino-5-[2-(4-nitrophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol Formula: C18H19N5O3 MolecularWeight: 353.37516

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3/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)