6-[(2E,4Z)-4-ethylhexa-2,4-dienyl]sulfanyl-7H-purine

Systemtic Name: 6-[(2E,4Z)-4-ethylhexa-2,4-dienyl]sulfanyl-7H-purine Openeye Name: 6-[(2E,4Z)-4-ethylhexa-2,4-dienyl]sulfanyl-7H-purine CAS Name: 6-[[(2E,4Z)-4-ethylhexa-2,4-dienyl]thio]-7H-purine IUPAC Name: 6-[(2E,4Z)-4-ethylhexa-2,4-dienyl]sulfanyl-7H-purine Traditional Name: 6-[[(2E,4Z)-4-ethylhexa-2,4-dienyl]thio]-7H-purine Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)C=CCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CC/C(=C/C)/C=C/CSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C13H16N4S/c1-3-10(4-2)6-5-7-18-13-11-12(15-8-14-11)16-9-17-13/h3,5-6,8-9H,4,7H2,1-2H3,(H,14,15,16,17)/b6-5+,10-3-