methyl 3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylcarbamoylamino]benzoate Openeye Name: methyl 3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylcarbamoylamino]benzoate CAS Name: 3-[[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylcarbamoylamino]benzoate Traditional Name: 3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butylcarbamoylamino]benzoic acid methyl ester Formula: C22H29N7O5 MolecularWeight: 471.50956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCNC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCNC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H29N7O5/c1-3-4-12-34-21-27-17(23)16-18(28-21)29(22(32)26-16)11-6-5-10-24-20(31)25-15-9-7-8-14(13-15)19(30)33-2/h7-9,13H,3-6,10-12H2,1-2H3,(H,26,32)(H2,23,27,28)(H2,24,25,31)