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

Systemtic Name: 2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-3-methyl-pentan-1-ol Openeye Name: 2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-pentan-1-ol CAS Name: 2-[[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]amino]-3-methyl-1-pentanol IUPAC Name: 2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylpentan-1-ol Traditional Name: 2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-pentan-1-ol Formula: C20H27ClN6O MolecularWeight: 402.92098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C

Isomeric SMILES

CCC(C)C(CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C

InChI

InChI=1S/C20H27ClN6O/c1-5-13(4)16(10-28)24-20-25-18(23-15-8-6-7-14(21)9-15)17-19(26-20)27(11-22-17)12(2)3/h6-9,11-13,16,28H,5,10H2,1-4H3,(H2,23,24,25,26)