1-[3-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[(2-amino-6-chloro-purin-9-yl)methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[(2-amino-6-chloro-9-purinyl)methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(2-amino-6-chloropurin-9-yl)methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[(2-amino-6-chloro-purin-9-yl)methyl]-4-methoxy-phenyl]ethanone Formula: C15H14ClN5O2 MolecularWeight: 331.75696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C15H14ClN5O2/c1-8(22)9-3-4-11(23-2)10(5-9)6-21-7-18-12-13(16)19-15(17)20-14(12)21/h3-5,7H,6H2,1-2H3,(H2,17,19,20)