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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-homoveratryl-propionamide Formula: C18H20ClN5O3S MolecularWeight: 421.9011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O3S/c1-26-12-4-3-11(9-13(12)27-2)5-7-20-14(25)6-8-28-17-15-16(22-10-21-15)23-18(19)24-17/h3-4,9-10H,5-8H2,1-2H3,(H,20,25)(H,21,22,23,24)