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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(7H-purin-6-ylthio)propionamide Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3NC=N4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C15H13N5O3S/c1-8(24-15-12-13(17-5-16-12)18-6-19-15)14(21)20-9-2-3-10-11(4-9)23-7-22-10/h2-6,8H,7H2,1H3,(H,20,21)(H,16,17,18,19)/t8-/m1/s1