4-[[[2-chloranyl-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-chloranyl-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-chloro-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzoic acid CAS Name: 4-[[[2-chloro-9-(2-methoxyethyl)-6-purinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-chloro-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-chloro-9-(2-methoxyethyl)purin-6-yl]amino]methyl]benzoic acid Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

COCCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C16H16ClN5O3/c1-25-7-6-22-9-19-12-13(20-16(17)21-14(12)22)18-8-10-2-4-11(5-3-10)15(23)24/h2-5,9H,6-8H2,1H3,(H,23,24)(H,18,20,21)