2-[3-[[6-azanyl-2-(cyclohexylmethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[6-azanyl-2-(cyclohexylmethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[6-amino-2-(cyclohexylmethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[6-amino-2-(cyclohexylmethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[6-amino-2-(cyclohexylmethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[6-amino-2-(cyclohexylmethoxy)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

C1CCC(CC1)COC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C21H25N5O4/c22-18-17-19(25-20(24-18)30-12-13-5-2-1-3-6-13)26(21(29)23-17)11-15-8-4-7-14(9-15)10-16(27)28/h4,7-9,13H,1-3,5-6,10-12H2,(H,23,29)(H,27,28)(H2,22,24,25)