N-[6-[3-(2-azanylethyldisulfanyl)propylamino]pyrimidin-4-yl]prop-2-enamide

Systemtic Name: N-[6-[3-(2-azanylethyldisulfanyl)propylamino]pyrimidin-4-yl]prop-2-enamide Openeye Name: N-[6-[3-(2-aminoethyldisulfanyl)propylamino]pyrimidin-4-yl]prop-2-enamide CAS Name: N-[6-[3-(2-aminoethyldisulfanyl)propylamino]-4-pyrimidinyl]-2-propenamide IUPAC Name: N-[6-[3-(2-aminoethyldisulfanyl)propylamino]pyrimidin-4-yl]prop-2-enamide Traditional Name: N-[6-[3-(2-aminoethyldisulfanyl)propylamino]pyrimidin-4-yl]acrylamide Formula: C12H19N5OS2 MolecularWeight: 313.44216

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC(=NC=N1)NCCCSSCCN

Isomeric SMILES

C=CC(=O)NC1=CC(=NC=N1)NCCCSSCCN

InChI

InChI=1S/C12H19N5OS2/c1-2-12(18)17-11-8-10(15-9-16-11)14-5-3-6-19-20-7-4-13/h2,8-9H,1,3-7,13H2,(H2,14,15,16,17,18)