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

Systemtic Name: butyl 4-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoylamino]benzoate Openeye Name: butyl 4-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoylamino]benzoate CAS Name: 4-[[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoylamino]benzoate Traditional Name: 4-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propanoylamino]benzoic acid butyl ester Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H25N5O5/c1-4-5-12-31-20(29)14-6-8-15(9-7-14)23-16(27)10-11-26-13-22-18-17(26)19(28)25(3)21(30)24(18)2/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,27)