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

Systemtic Name: [1-[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]piperidin-2-yl]methanol Openeye Name: [1-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]-2-piperidyl]methanol CAS Name: [1-[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]-2-piperidinyl]methanol IUPAC Name: [1-[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]piperidin-2-yl]methanol Traditional Name: [1-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]-2-piperidyl]methanol Formula: C20H25ClN6O MolecularWeight: 400.9051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCCCC4CO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCCCC4CO

InChI

InChI=1S/C20H25ClN6O/c1-13(2)27-12-22-17-18(23-15-7-5-6-14(21)10-15)24-20(25-19(17)27)26-9-4-3-8-16(26)11-28/h5-7,10,12-13,16,28H,3-4,8-9,11H2,1-2H3,(H,23,24,25)