N-[2-[[6-[2-(2-azanylethyldisulfanyl)ethylamino]pyrimidin-4-yl]amino]ethyl]prop-2-enamide

Systemtic Name: N-[2-[[6-[2-(2-azanylethyldisulfanyl)ethylamino]pyrimidin-4-yl]amino]ethyl]prop-2-enamide Openeye Name: N-[2-[[6-[2-(2-aminoethyldisulfanyl)ethylamino]pyrimidin-4-yl]amino]ethyl]prop-2-enamide CAS Name: N-[2-[[6-[2-(2-aminoethyldisulfanyl)ethylamino]-4-pyrimidinyl]amino]ethyl]-2-propenamide IUPAC Name: N-[2-[[6-[2-(2-aminoethyldisulfanyl)ethylamino]pyrimidin-4-yl]amino]ethyl]prop-2-enamide Traditional Name: N-[2-[[6-[2-(2-aminoethyldisulfanyl)ethylamino]pyrimidin-4-yl]amino]ethyl]acrylamide Formula: C13H22N6OS2 MolecularWeight: 342.48338

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCNC1=CC(=NC=N1)NCCSSCCN

Isomeric SMILES

C=CC(=O)NCCNC1=CC(=NC=N1)NCCSSCCN

InChI

InChI=1S/C13H22N6OS2/c1-2-13(20)17-5-4-15-11-9-12(19-10-18-11)16-6-8-22-21-7-3-14/h2,9-10H,1,3-8,14H2,(H,17,20)(H2,15,16,18,19)