3-bromanyl-N5-cyclopentyl-N7-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

Systemtic Name: 3-bromanyl-N5-cyclopentyl-N7-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine Openeye Name: 3-bromo-N5-cyclopentyl-N7-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine CAS Name: 3-bromo-N5-cyclopentyl-N7-[(1-oxido-3-pyridin-1-iumyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine IUPAC Name: 3-bromo-5-N-cyclopentyl-7-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine Traditional Name: [3-bromo-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-7-yl]-[(1-oxidopyridin-1-ium-3-yl)methyl]amine Formula: C17H19BrN6O MolecularWeight: 403.27636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC3=C(C=NN3C(=C2)NCC4=C[N+](=CC=C4)[O-])Br

Isomeric SMILES

C1CCC(C1)NC2=NC3=C(C=NN3C(=C2)NCC4=C[N+](=CC=C4)[O-])Br

InChI

InChI=1S/C17H19BrN6O/c18-14-10-20-24-16(19-9-12-4-3-7-23(25)11-12)8-15(22-17(14)24)21-13-5-1-2-6-13/h3-4,7-8,10-11,13,19H,1-2,5-6,9H2,(H,21,22)