ethyl 5-(6-benzamidopurin-9-yl)-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-(6-benzamidopurin-9-yl)-3-oxidanylidene-pentanoate Openeye Name: ethyl 5-(6-benzamidopurin-9-yl)-3-oxo-pentanoate CAS Name: 5-(6-benzamido-9-purinyl)-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-(6-benzamidopurin-9-yl)-3-oxopentanoate Traditional Name: 5-(6-benzamidopurin-9-yl)-3-keto-valeric acid ethyl ester Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N5O4/c1-2-28-15(26)10-14(25)8-9-24-12-22-16-17(20-11-21-18(16)24)23-19(27)13-6-4-3-5-7-13/h3-7,11-12H,2,8-10H2,1H3,(H,20,21,23,27)