2-azanyl-3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanamide

Systemtic Name: 2-azanyl-3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanamide Openeye Name: 2-amino-3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propanamide CAS Name: 2-amino-3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-9-purinyl]propanamide IUPAC Name: 2-amino-3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]propanamide Traditional Name: 2-amino-3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propionamide Formula: C13H19N7O2 MolecularWeight: 305.33566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=CN2CC(C(=O)N)N)CO

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1N=CN2CC(C(=O)N)N)/CO

InChI

InChI=1S/C13H19N7O2/c1-8(5-21)2-3-16-12-10-13(18-6-17-12)20(7-19-10)4-9(14)11(15)22/h2,6-7,9,21H,3-5,14H2,1H3,(H2,15,22)(H,16,17,18)/b8-2+