4-[(2-chloranyl-7H-purin-6-yl)amino]-N-[(2,4-dimethoxyphenyl)methyl]butanamide

Systemtic Name: 4-[(2-chloranyl-7H-purin-6-yl)amino]-N-[(2,4-dimethoxyphenyl)methyl]butanamide Openeye Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[(2,4-dimethoxyphenyl)methyl]butanamide CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[(2,4-dimethoxyphenyl)methyl]butanamide IUPAC Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[(2,4-dimethoxyphenyl)methyl]butanamide Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-(2,4-dimethoxybenzyl)butyramide Formula: C18H21ClN6O3 MolecularWeight: 404.85074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCCNC2=NC(=NC3=C2NC=N3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CCCNC2=NC(=NC3=C2NC=N3)Cl)OC

InChI

InChI=1S/C18H21ClN6O3/c1-27-12-6-5-11(13(8-12)28-2)9-21-14(26)4-3-7-20-16-15-17(23-10-22-15)25-18(19)24-16/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,21,26)(H2,20,22,23,24,25)