ethyl 4-(6-oxidanylidene-2-phenylazanyl-3H-purin-9-yl)butanoate

Systemtic Name: ethyl 4-(6-oxidanylidene-2-phenylazanyl-3H-purin-9-yl)butanoate Openeye Name: ethyl 4-(2-anilino-6-oxo-3H-purin-9-yl)butanoate CAS Name: 4-(2-anilino-6-oxo-3H-purin-9-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(2-anilino-6-oxo-3H-purin-9-yl)butanoate Traditional Name: 4-(2-anilino-6-keto-3H-purin-9-yl)butyric acid ethyl ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=NC2=C1NC(=NC2=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCN1C=NC2=C1NC(=NC2=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O3/c1-2-25-13(23)9-6-10-22-11-18-14-15(22)20-17(21-16(14)24)19-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H2,19,20,21,24)