N-(2-chloranyl-5-methyl-phenyl)-2-[6-(hexylamino)purin-9-yl]-3-oxidanylidene-butanamide

Systemtic Name: N-(2-chloranyl-5-methyl-phenyl)-2-[6-(hexylamino)purin-9-yl]-3-oxidanylidene-butanamide Openeye Name: N-(2-chloro-5-methyl-phenyl)-2-[6-(hexylamino)purin-9-yl]-3-oxo-butanamide CAS Name: N-(2-chloro-5-methylphenyl)-2-[6-(hexylamino)-9-purinyl]-3-oxobutanamide IUPAC Name: N-(2-chloro-5-methylphenyl)-2-[6-(hexylamino)purin-9-yl]-3-oxobutanamide Traditional Name: N-(2-chloro-5-methyl-phenyl)-2-[6-(hexylamino)purin-9-yl]-3-keto-butyramide Formula: C22H27ClN6O2 MolecularWeight: 442.94178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC=NC2=C1N=CN2C(C(=O)C)C(=O)NC3=C(C=CC(=C3)C)Cl

Isomeric SMILES

CCCCCCNC1=NC=NC2=C1N=CN2C(C(=O)C)C(=O)NC3=C(C=CC(=C3)C)Cl

InChI

InChI=1S/C22H27ClN6O2/c1-4-5-6-7-10-24-20-18-21(26-12-25-20)29(13-27-18)19(15(3)30)22(31)28-17-11-14(2)8-9-16(17)23/h8-9,11-13,19H,4-7,10H2,1-3H3,(H,28,31)(H,24,25,26)