propyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]benzoic acid propyl ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O5/c1-4-9-29-18(27)12-5-7-13(8-6-12)21-14(25)10-24-11-20-16-15(24)17(26)23(3)19(28)22(16)2/h5-8,11H,4,9-10H2,1-3H3,(H,21,25)