6-[(E)-3-cyclohexylprop-2-enyl]sulfanyl-7H-purin-2-amine

Systemtic Name: 6-[(E)-3-cyclohexylprop-2-enyl]sulfanyl-7H-purin-2-amine Openeye Name: 6-[(E)-3-cyclohexylallyl]sulfanyl-7H-purin-2-amine CAS Name: 6-[[(E)-3-cyclohexylprop-2-enyl]thio]-7H-purin-2-amine IUPAC Name: 6-[(E)-3-cyclohexylprop-2-enyl]sulfanyl-7H-purin-2-amine Traditional Name: [6-[[(E)-3-cyclohexylallyl]thio]-7H-purin-2-yl]amine Formula: C14H19N5S MolecularWeight: 289.39916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C=CCSC2=NC(=NC3=C2NC=N3)N

Isomeric SMILES

C1CCC(CC1)/C=C/CSC2=NC(=NC3=C2NC=N3)N

InChI

InChI=1S/C14H19N5S/c15-14-18-12-11(16-9-17-12)13(19-14)20-8-4-7-10-5-2-1-3-6-10/h4,7,9-10H,1-3,5-6,8H2,(H3,15,16,17,18,19)/b7-4+