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

Systemtic Name: methyl 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylcarbamoylamino]phenyl]ethanoate Openeye Name: methyl 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylcarbamoylamino]phenyl]acetate CAS Name: 2-[3-[[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]-oxomethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylcarbamoylamino]phenyl]acetate Traditional Name: 2-[3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butylcarbamoylamino]phenyl]acetic acid methyl ester Formula: C23H31N7O5 MolecularWeight: 485.53614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N7O5/c1-3-4-12-35-22-28-19(24)18-20(29-22)30(23(33)27-18)11-6-5-10-25-21(32)26-16-9-7-8-15(13-16)14-17(31)34-2/h7-9,13H,3-6,10-12,14H2,1-2H3,(H,27,33)(H2,24,28,29)(H2,25,26,32)