N-(4-morpholin-4-ylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-morpholinophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(4-morpholinophenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C17H18N6O2S/c24-14(9-26-17-15-16(19-10-18-15)20-11-21-17)22-12-1-3-13(4-2-12)23-5-7-25-8-6-23/h1-4,10-11H,5-9H2,(H,22,24)(H,18,19,20,21)