2-azanyl-8-bromanyl-1,7-dimethyl-9-(4-oxidanylbutyl)-1,8-dihydropurin-1-ium-6-one; propanoate

Systemtic Name: 2-azanyl-8-bromanyl-1,7-dimethyl-9-(4-oxidanylbutyl)-1,8-dihydropurin-1-ium-6-one; propanoate Openeye Name: 2-amino-8-bromo-9-(4-hydroxybutyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one; propanoate CAS Name: 2-amino-8-bromo-9-(4-hydroxybutyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one; propanoate IUPAC Name: 2-amino-8-bromo-9-(4-hydroxybutyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one; propanoate Traditional Name: 2-amino-8-bromo-9-(4-hydroxybutyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one; propionate Formula: C14H24BrN5O4 MolecularWeight: 406.27546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[O-].C[NH+]1C(=O)C2=C(N=C1N)N(C(N2C)Br)CCCCO

Isomeric SMILES

CCC(=O)[O-].C[NH+]1C(=O)C2=C(N=C1N)N(C(N2C)Br)CCCCO

InChI

InChI=1S/C11H18BrN5O2.C3H6O2/c1-15-7-8(14-11(13)16(2)9(7)19)17(10(15)12)5-3-4-6-18;1-2-3(4)5/h10,18H,3-6H2,1-2H3,(H2,13,14);2H2,1H3,(H,4,5)