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

Systemtic Name: 4-[(9-butan-2-yl-2-chloranyl-purin-6-yl)amino]benzoic acid Openeye Name: 4-[(2-chloro-9-sec-butyl-purin-6-yl)amino]benzoic acid CAS Name: 4-[(9-butan-2-yl-2-chloro-6-purinyl)amino]benzoic acid IUPAC Name: 4-[(9-butan-2-yl-2-chloropurin-6-yl)amino]benzoic acid Traditional Name: 4-[(2-chloro-9-sec-butyl-purin-6-yl)amino]benzoic acid Formula: C16H16ClN5O2 MolecularWeight: 345.78354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O2/c1-3-9(2)22-8-18-12-13(20-16(17)21-14(12)22)19-11-6-4-10(5-7-11)15(23)24/h4-9H,3H2,1-2H3,(H,23,24)(H,19,20,21)