4-chloranyl-2-[[9-(1-chloroethyl)purin-6-yl]amino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[9-(1-chloroethyl)purin-6-yl]amino]benzoic acid Openeye Name: 4-chloro-2-[[9-(1-chloroethyl)purin-6-yl]amino]benzoic acid CAS Name: 4-chloro-2-[[9-(1-chloroethyl)-6-purinyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[9-(1-chloroethyl)purin-6-yl]amino]benzoic acid Traditional Name: 4-chloro-2-[[9-(1-chloroethyl)purin-6-yl]amino]benzoic acid Formula: C14H11Cl2N5O2 MolecularWeight: 352.17544

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC2=C1N=CN=C2NC3=C(C=CC(=C3)Cl)C(=O)O)Cl

Isomeric SMILES

CC(N1C=NC2=C1N=CN=C2NC3=C(C=CC(=C3)Cl)C(=O)O)Cl

InChI

InChI=1S/C14H11Cl2N5O2/c1-7(15)21-6-19-11-12(17-5-18-13(11)21)20-10-4-8(16)2-3-9(10)14(22)23/h2-7H,1H3,(H,22,23)(H,17,18,20)