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

Systemtic Name: ethyl 4-[3-[6-oxidanylidene-1-(phenylmethyl)purin-9-yl]propanoylamino]benzoate Openeye Name: ethyl 4-[3-(1-benzyl-6-oxo-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[6-oxo-1-(phenylmethyl)-9-purinyl]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-benzyl-6-oxopurin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1-benzyl-6-keto-purin-9-yl)propanoylamino]benzoic acid ethyl ester Formula: C24H23N5O4 MolecularWeight: 445.47052

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=CN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H23N5O4/c1-2-33-24(32)18-8-10-19(11-9-18)27-20(30)12-13-28-15-25-21-22(28)26-16-29(23(21)31)14-17-6-4-3-5-7-17/h3-11,15-16H,2,12-14H2,1H3,(H,27,30)