2-[[6-[(3-azanyl-4-chloranyl-phenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol

Systemtic Name: 2-[[6-[(3-azanyl-4-chloranyl-phenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol Openeye Name: 2-[[6-(3-amino-4-chloro-anilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol CAS Name: 2-[[6-(3-amino-4-chloroanilino)-9-propan-2-yl-2-purinyl]amino]-3-methyl-1-butanol IUPAC Name: 2-[[6-(3-amino-4-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol Traditional Name: 2-[[6-(3-amino-4-chloro-anilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol Formula: C19H26ClN7O MolecularWeight: 403.90904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-12-5-6-13(20)14(21)7-12)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)