ethyl 4-[3-(6-methoxypurin-9-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(6-methoxypurin-9-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(6-methoxypurin-9-yl)propanoylamino]benzoate CAS Name: 4-[[3-(6-methoxy-9-purinyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(6-methoxypurin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(6-methoxypurin-9-yl)propanoylamino]benzoic acid ethyl ester Formula: C18H19N5O4 MolecularWeight: 369.37456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=CN=C3OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=CN=C3OC

InChI

InChI=1S/C18H19N5O4/c1-3-27-18(25)12-4-6-13(7-5-12)22-14(24)8-9-23-11-21-15-16(23)19-10-20-17(15)26-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,24)