3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[(2-methoxyphenyl)methyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-o-anisyl-propionamide Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H16ClN5O2S/c1-24-11-5-3-2-4-10(11)8-18-12(23)6-7-25-15-13-14(20-9-19-13)21-16(17)22-15/h2-5,9H,6-8H2,1H3,(H,18,23)(H,19,20,21,22)