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

Systemtic Name: butyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5/c1-4-5-10-30-19(28)13-6-8-14(9-7-13)22-15(26)11-25-12-21-17-16(25)18(27)24(3)20(29)23(17)2/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,26)