1-[2-ethanoyl-4-[(7H-purin-6-ylamino)methyl]phenyl]ethanone

Systemtic Name: 1-[2-ethanoyl-4-[(7H-purin-6-ylamino)methyl]phenyl]ethanone Openeye Name: 1-[2-acetyl-4-[(7H-purin-6-ylamino)methyl]phenyl]ethanone CAS Name: 1-[2-acetyl-4-[(7H-purin-6-ylamino)methyl]phenyl]ethanone IUPAC Name: 1-[2-acetyl-4-[(7H-purin-6-ylamino)methyl]phenyl]ethanone Traditional Name: 1-[2-acetyl-4-[(7H-purin-6-ylamino)methyl]phenyl]ethanone Formula: C16H15N5O2 MolecularWeight: 309.3226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)CNC2=NC=NC3=C2NC=N3)C(=O)C

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)CNC2=NC=NC3=C2NC=N3)C(=O)C

InChI

InChI=1S/C16H15N5O2/c1-9(22)12-4-3-11(5-13(12)10(2)23)6-17-15-14-16(19-7-18-14)21-8-20-15/h3-5,7-8H,6H2,1-2H3,(H2,17,18,19,20,21)