7-(cyclohexylcarbonylamino)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate

Systemtic Name: 7-(cyclohexylcarbonylamino)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate Openeye Name: 7-(cyclohexanecarbonylamino)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate CAS Name: 7-[[cyclohexyl(oxo)methyl]amino]-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate IUPAC Name: 7-(cyclohexanecarbonylamino)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate Traditional Name: 7-(cyclohexanecarbonylamino)-2-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate Formula: C20H22N5O2- MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=NC3=NC(=NN23)CCC4=CC=CC=C4)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=NC3=NC(=NN23)CCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H23N5O2/c26-18-13-17(22-19(27)15-9-5-2-6-10-15)25-20(23-18)21-16(24-25)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,22,27)(H,21,23,24,26)/p-1