(2S)-2-(2-chloranylpurin-9-id-6-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide

Systemtic Name: (2S)-2-(2-chloranylpurin-9-id-6-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: (2S)-2-(2-chloropurin-9-id-6-yl)sulfanyl-N-(3-morpholinopropyl)propanamide CAS Name: (2S)-2-[(2-chloro-6-purin-9-idyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: (2S)-2-(2-chloropurin-9-id-6-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: (2S)-2-[(2-chloropurin-9-id-6-yl)thio]-N-(3-morpholinopropyl)propionamide Formula: C15H20ClN6O2S- MolecularWeight: 383.8763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCOCC1)SC2=NC(=NC3=C2N=C[N-]3)Cl

Isomeric SMILES

C[C@@H](C(=O)NCCCN1CCOCC1)SC2=NC(=NC3=C2N=C[N-]3)Cl

InChI

InChI=1S/C15H21ClN6O2S/c1-10(13(23)17-3-2-4-22-5-7-24-8-6-22)25-14-11-12(19-9-18-11)20-15(16)21-14/h9-10H,2-8H2,1H3,(H2,17,18,19,20,21,23)/p-1/t10-/m0/s1