1-[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]piperidin-4-ol

Systemtic Name: 1-[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]piperidin-4-ol Openeye Name: 1-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]piperidin-4-ol CAS Name: 1-[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]-4-piperidinol IUPAC Name: 1-[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]piperidin-4-ol Traditional Name: 1-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]piperidin-4-ol Formula: C19H23ClN6O MolecularWeight: 386.87852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCC(CC4)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCC(CC4)O

InChI

InChI=1S/C19H23ClN6O/c1-12(2)26-11-21-16-17(22-14-5-3-4-13(20)10-14)23-19(24-18(16)26)25-8-6-15(27)7-9-25/h3-5,10-12,15,27H,6-9H2,1-2H3,(H,22,23,24)