N-(5-methyl-1,2-oxazol-3-yl)-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-(7H-purin-6-ylthio)propionamide Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H12N6O2S/c1-6-3-8(18-20-6)17-11(19)7(2)21-12-9-10(14-4-13-9)15-5-16-12/h3-5,7H,1-2H3,(H,17,18,19)(H,13,14,15,16)