N-[3-[[[2-cyano-9-(3-oxidanylpropyl)purin-6-yl]amino]methyl]phenyl]ethanamide

Systemtic Name: N-[3-[[[2-cyano-9-(3-oxidanylpropyl)purin-6-yl]amino]methyl]phenyl]ethanamide Openeye Name: N-[3-[[[2-cyano-9-(3-hydroxypropyl)purin-6-yl]amino]methyl]phenyl]acetamide CAS Name: N-[3-[[[2-cyano-9-(3-hydroxypropyl)-6-purinyl]amino]methyl]phenyl]acetamide IUPAC Name: N-[3-[[[2-cyano-9-(3-hydroxypropyl)purin-6-yl]amino]methyl]phenyl]acetamide Traditional Name: N-[3-[[[2-cyano-9-(3-hydroxypropyl)purin-6-yl]amino]methyl]phenyl]acetamide Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N

InChI

InChI=1S/C18H19N7O2/c1-12(27)22-14-5-2-4-13(8-14)10-20-17-16-18(24-15(9-19)23-17)25(11-21-16)6-3-7-26/h2,4-5,8,11,26H,3,6-7,10H2,1H3,(H,22,27)(H,20,23,24)