ethyl 4-[3-(1-methyl-6-oxidanylidene-purin-9-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(1-methyl-6-oxidanylidene-purin-9-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(1-methyl-6-oxo-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[3-(1-methyl-6-oxo-9-purinyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-methyl-6-oxopurin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(6-keto-1-methyl-purin-9-yl)propanoylamino]benzoic acid ethyl ester Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=CN(C3=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=CN(C3=O)C

InChI

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