2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2-morpholinophenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-[2-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2-morpholinophenyl)acetamide Formula: C17H19N7O2S MolecularWeight: 385.44346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1COCCN1C2=CC=CC=C2NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C17H19N7O2S/c18-15-14-16(20-10-19-15)23-17(22-14)27-9-13(25)21-11-3-1-2-4-12(11)24-5-7-26-8-6-24/h1-4,10H,5-9H2,(H,21,25)(H3,18,19,20,22,23)