(2R)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(7H-purin-6-yl)propanamide

Systemtic Name: (2R)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(7H-purin-6-yl)propanamide Openeye Name: (2R)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(7H-purin-6-yl)propanamide CAS Name: (2R)-2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-(7H-purin-6-yl)propanamide IUPAC Name: (2R)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(7H-purin-6-yl)propanamide Traditional Name: (2R)-2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(7H-purin-6-yl)propionamide Formula: C17H23N7OS MolecularWeight: 373.47582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SC(C)C(=O)NC2=NC=NC3=C2NC=N3)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1S[C@H](C)C(=O)NC2=NC=NC3=C2NC=N3)C)C

InChI

InChI=1S/C17H23N7OS/c1-5-6-7-24-11(3)10(2)22-17(24)26-12(4)16(25)23-15-13-14(19-8-18-13)20-9-21-15/h8-9,12H,5-7H2,1-4H3,(H2,18,19,20,21,23,25)/t12-/m1/s1