6-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-purin-2-amine

Systemtic Name: 6-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-purin-2-amine Openeye Name: 6-[(E)-cinnamyl]sulfanyl-5H-purin-2-amine CAS Name: 6-[[(E)-3-phenylprop-2-enyl]thio]-5H-purin-2-amine IUPAC Name: 6-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-purin-2-amine Traditional Name: [6-[[(E)-cinnamyl]thio]-5H-purin-2-yl]amine Formula: C14H13N5S MolecularWeight: 283.35152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NC(=NC3=NC=NC32)N

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NC(=NC3=NC=NC32)N

InChI

InChI=1S/C14H13N5S/c15-14-18-12-11(16-9-17-12)13(19-14)20-8-4-7-10-5-2-1-3-6-10/h1-7,9,11H,8H2,(H2,15,16,17,18)/b7-4+