3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(3,5-dimethoxyphenyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(3,5-dimethoxyphenyl)propionamide Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl)OC

InChI

InChI=1S/C16H16ClN5O3S/c1-24-10-5-9(6-11(7-10)25-2)20-12(23)3-4-26-15-13-14(19-8-18-13)21-16(17)22-15/h5-8H,3-4H2,1-2H3,(H,20,23)(H,18,19,21,22)