3-(8-azanyl-6-oxidanylidene-purin-2-yl)-4-propoxy-benzoic acid

Systemtic Name: 3-(8-azanyl-6-oxidanylidene-purin-2-yl)-4-propoxy-benzoic acid Openeye Name: 3-(8-amino-6-oxo-purin-2-yl)-4-propoxy-benzoic acid CAS Name: 3-(8-amino-6-oxo-2-purinyl)-4-propoxybenzoic acid IUPAC Name: 3-(8-amino-6-oxopurin-2-yl)-4-propoxybenzoic acid Traditional Name: 3-(8-amino-6-keto-purin-2-yl)-4-propoxy-benzoic acid Formula: C15H13N5O4 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)O)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C15H13N5O4/c1-2-5-24-9-4-3-7(14(22)23)6-8(9)11-18-12-10(13(21)19-11)17-15(16)20-12/h3-4,6H,2,5H2,1H3,(H,22,23)(H2,16,18,19,20,21)