ethyl 3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]benzoic acid ethyl ester Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H19N5O5/c1-4-28-17(26)11-6-5-7-12(8-11)20-13(24)9-23-10-19-15-14(23)16(25)22(3)18(27)21(15)2/h5-8,10H,4,9H2,1-3H3,(H,20,24)