N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylthio)propanamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylthio)propionamide Formula: C12H13N7OS3 MolecularWeight: 367.47292

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C(C)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C(C)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H13N7OS3/c1-3-21-12-19-18-11(23-12)17-9(20)6(2)22-10-7-8(14-4-13-7)15-5-16-10/h4-6H,3H2,1-2H3,(H,17,18,20)(H,13,14,15,16)