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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2R)-N-piperonyl-2-(7H-purin-6-ylthio)propionamide Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3NC=N4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H15N5O3S/c1-9(25-16-13-14(19-6-18-13)20-7-21-16)15(22)17-5-10-2-3-11-12(4-10)24-8-23-11/h2-4,6-7,9H,5,8H2,1H3,(H,17,22)(H,18,19,20,21)/t9-/m1/s1