ethyl 5-(6-azanyl-9-phenethyl-purin-8-yl)furan-2-carboxylate

Systemtic Name: ethyl 5-(6-azanyl-9-phenethyl-purin-8-yl)furan-2-carboxylate Openeye Name: ethyl 5-(6-amino-9-phenethyl-purin-8-yl)furan-2-carboxylate CAS Name: 5-(6-amino-9-phenethyl-8-purinyl)-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(6-amino-9-phenethylpurin-8-yl)furan-2-carboxylate Traditional Name: 5-(6-amino-9-phenethyl-purin-8-yl)furan-2-carboxylic acid ethyl ester Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)C2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)C2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C20H19N5O3/c1-2-27-20(26)15-9-8-14(28-15)18-24-16-17(21)22-12-23-19(16)25(18)11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H2,21,22,23)