4-[3-(6-methoxypurin-9-yl)propanoylamino]benzoic acid

Systemtic Name: 4-[3-(6-methoxypurin-9-yl)propanoylamino]benzoic acid Openeye Name: 4-[3-(6-methoxypurin-9-yl)propanoylamino]benzoic acid CAS Name: 4-[[3-(6-methoxy-9-purinyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(6-methoxypurin-9-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(6-methoxypurin-9-yl)propanoylamino]benzoic acid Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=CN2CCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=NC=NC2=C1N=CN2CCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H15N5O4/c1-25-15-13-14(17-8-18-15)21(9-19-13)7-6-12(22)20-11-4-2-10(3-5-11)16(23)24/h2-5,8-9H,6-7H2,1H3,(H,20,22)(H,23,24)