3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(3,4,5-trimethoxyphenyl)propionamide Formula: C17H18ClN5O4S MolecularWeight: 423.87392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C17H18ClN5O4S/c1-25-10-6-9(7-11(26-2)14(10)27-3)21-12(24)4-5-28-16-13-15(20-8-19-13)22-17(18)23-16/h6-8H,4-5H2,1-3H3,(H,21,24)(H,19,20,22,23)