(2E)-2-[2-(7H-purin-6-ylamino)ethylidene]pentan-1-ol

Systemtic Name: (2E)-2-[2-(7H-purin-6-ylamino)ethylidene]pentan-1-ol Openeye Name: (2E)-2-[2-(7H-purin-6-ylamino)ethylidene]pentan-1-ol CAS Name: (2E)-2-[2-(7H-purin-6-ylamino)ethylidene]-1-pentanol IUPAC Name: (2E)-2-[2-(7H-purin-6-ylamino)ethylidene]pentan-1-ol Traditional Name: (E)-2-propyl-4-(7H-purin-6-ylamino)but-2-en-1-ol Formula: C12H17N5O MolecularWeight: 247.29628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CCNC1=NC=NC2=C1NC=N2)CO

Isomeric SMILES

CCC/C(=C\CNC1=NC=NC2=C1NC=N2)/CO

InChI

InChI=1S/C12H17N5O/c1-2-3-9(6-18)4-5-13-11-10-12(15-7-14-10)17-8-16-11/h4,7-8,18H,2-3,5-6H2,1H3,(H2,13,14,15,16,17)/b9-4+