1-[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]-4-hydroxy-proline Formula: C19H21ClN6O3 MolecularWeight: 416.86144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CC(CC4C(=O)O)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CC(CC4C(=O)O)O

InChI

InChI=1S/C19H21ClN6O3/c1-10(2)26-9-21-15-16(22-12-5-3-4-11(20)6-12)23-19(24-17(15)26)25-8-13(27)7-14(25)18(28)29/h3-6,9-10,13-14,27H,7-8H2,1-2H3,(H,28,29)(H,22,23,24)