4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)butylboronic acid

Systemtic Name: 4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)butylboronic acid Openeye Name: 4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)butylboronic acid CAS Name: 4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)butylboronic acid IUPAC Name: 4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)butylboronic acid Traditional Name: 4-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)butylboronic acid Formula: C9H16BN5O3 MolecularWeight: 253.06604

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCCN1CNC2=C1NC(=NC2=O)N)(O)O

Isomeric SMILES

B(CCCCN1CNC2=C1NC(=NC2=O)N)(O)O

InChI

InChI=1S/C9H16BN5O3/c11-9-13-7-6(8(16)14-9)12-5-15(7)4-2-1-3-10(17)18/h12,17-18H,1-5H2,(H3,11,13,14,16)