methyl 3-(6-azanyl-7H-purin-2-yl)-3-phenyl-propanoate

Systemtic Name: methyl 3-(6-azanyl-7H-purin-2-yl)-3-phenyl-propanoate Openeye Name: methyl 3-(6-amino-7H-purin-2-yl)-3-phenyl-propanoate CAS Name: 3-(6-amino-7H-purin-2-yl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-(6-amino-7H-purin-2-yl)-3-phenylpropanoate Traditional Name: 3-(6-amino-7H-purin-2-yl)-3-phenyl-propionic acid methyl ester Formula: C15H15N5O2 MolecularWeight: 297.3119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)C2=NC3=C(C(=N2)N)NC=N3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)C2=NC3=C(C(=N2)N)NC=N3

InChI

InChI=1S/C15H15N5O2/c1-22-11(21)7-10(9-5-3-2-4-6-9)14-19-13(16)12-15(20-14)18-8-17-12/h2-6,8,10H,7H2,1H3,(H3,16,17,18,19,20)