(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(6-keto-1H-pyrimidin-2-yl)thio]-N-piperonyl-propionamide Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=CC(=O)N3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=CC(=O)N3

InChI

InChI=1S/C15H15N3O4S/c1-9(23-15-16-5-4-13(19)18-15)14(20)17-7-10-2-3-11-12(6-10)22-8-21-11/h2-6,9H,7-8H2,1H3,(H,17,20)(H,16,18,19)/t9-/m1/s1