2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]-(phenylmethyl)amino]ethanol

Systemtic Name: 2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]-(phenylmethyl)amino]ethanol Openeye Name: 2-[benzyl-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]ethanol CAS Name: 2-[[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]-(phenylmethyl)amino]ethanol IUPAC Name: 2-[benzyl-[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol Traditional Name: 2-[benzyl-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]ethanol Formula: C23H25ClN6O MolecularWeight: 436.9372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N(CCO)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N(CCO)CC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN6O/c1-16(2)30-15-25-20-21(26-19-10-6-9-18(24)13-19)27-23(28-22(20)30)29(11-12-31)14-17-7-4-3-5-8-17/h3-10,13,15-16,31H,11-12,14H2,1-2H3,(H,26,27,28)