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

Systemtic Name: [3-[[6-azanyl-2-(butylamino)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]phosphonic acid Openeye Name: [3-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]phosphonic acid CAS Name: [3-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]phosphonic acid IUPAC Name: [3-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]phosphonic acid Traditional Name: [3-[[6-amino-2-(butylamino)-8-keto-7H-purin-9-yl]methyl]phenyl]phosphonic acid Formula: C16H21N6O4P MolecularWeight: 392.349501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)P(=O)(O)O

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)P(=O)(O)O

InChI

InChI=1S/C16H21N6O4P/c1-2-3-7-18-15-20-13(17)12-14(21-15)22(16(23)19-12)9-10-5-4-6-11(8-10)27(24,25)26/h4-6,8H,2-3,7,9H2,1H3,(H,19,23)(H2,24,25,26)(H3,17,18,20,21)