ethyl 4-[3-(1,2-dimethyl-6-oxidanylidene-purin-9-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(1,2-dimethyl-6-oxidanylidene-purin-9-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(1,2-dimethyl-6-oxo-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[3-(1,2-dimethyl-6-oxo-9-purinyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,2-dimethyl-6-oxopurin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(6-keto-1,2-dimethyl-purin-9-yl)propanoylamino]benzoic acid ethyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c1-4-28-19(27)13-5-7-14(8-6-13)22-15(25)9-10-24-11-20-16-17(24)21-12(2)23(3)18(16)26/h5-8,11H,4,9-10H2,1-3H3,(H,22,25)