N-[6-[(4-chlorophenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-butanamide

Systemtic Name: N-[6-[(4-chlorophenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-butanamide Openeye Name: N-[6-[(4-chlorophenyl)methylamino]-9-isopropyl-purin-2-yl]-3-methyl-butanamide CAS Name: N-[6-[(4-chlorophenyl)methylamino]-9-propan-2-yl-2-purinyl]-3-methylbutanamide IUPAC Name: N-[6-[(4-chlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]-3-methylbutanamide Traditional Name: N-[6-[(4-chlorobenzyl)amino]-9-isopropyl-purin-2-yl]-3-methyl-butyramide Formula: C20H25ClN6O MolecularWeight: 400.9051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)Cl)N=CN2C(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)Cl)N=CN2C(C)C

InChI

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