4-(aminomethyl)-N-(3-cyano-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1-carboxamide dihydrate hydrobromide

Systemtic Name: 4-(aminomethyl)-N-(3-cyano-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1-carboxamide dihydrate hydrobromide Openeye Name: 4-(aminomethyl)-N-(3-cyano-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide dihydrate hydrobromide CAS Name: 4-(aminomethyl)-N-(3-cyano-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-cyclohexanecarboxamide dihydrate hydrobromide IUPAC Name: 4-(aminomethyl)-N-(3-cyano-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1-carboxamide dihydrate hydrobromide Traditional Name: 4-(aminomethyl)-N-(3-cyano-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide dihydrate hydrobromide Formula: C16H25BrN6O3 MolecularWeight: 429.3121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)NC(=O)C3CCC(CC3)CN)C#N.O.O.Br

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)NC(=O)C3CCC(CC3)CN)C#N.O.O.Br

InChI

InChI=1S/C16H20N6O.BrH.2H2O/c1-10-6-14(22-15(20-10)13(8-18)9-19-22)21-16(23)12-4-2-11(7-17)3-5-12;;;/h6,9,11-12H,2-5,7,17H2,1H3,(H,21,23);1H;2*1H2