2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

InChI

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