4-(7H-purin-6-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(7H-purin-6-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(7H-purin-6-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(7H-purin-6-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(7H-purin-6-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(7H-purin-6-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C14H11N5O3 MolecularWeight: 297.26884

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C3=NC=NC4=C3NC=N4)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C3=NC=NC4=C3NC=N4)C(=O)O

InChI

InChI=1S/C14H11N5O3/c20-14(21)10-5-19(8-3-1-2-4-9(8)22-10)13-11-12(16-6-15-11)17-7-18-13/h1-4,6-7,10H,5H2,(H,20,21)(H,15,16,17,18)