2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-1-(1-oxidanylidene-1-phenyl-propan-2-yl)purin-6-one

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-1-(1-oxidanylidene-1-phenyl-propan-2-yl)purin-6-one Openeye Name: 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-1-(1-methyl-2-oxo-2-phenyl-ethyl)purin-6-one CAS Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1-(1-oxo-1-phenylpropan-2-yl)-6-purinone IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1-(1-oxo-1-phenylpropan-2-yl)purin-6-one Traditional Name: 2-amino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-1-(2-keto-1-methyl-2-phenyl-ethyl)purin-6-one Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)N2C(=O)C3=C(N=C2N)N(C=N3)COC(CO)CO

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)N2C(=O)C3=C(N=C2N)N(C=N3)COC(CO)CO

InChI

InChI=1S/C18H21N5O5/c1-11(15(26)12-5-3-2-4-6-12)23-17(27)14-16(21-18(23)19)22(9-20-14)10-28-13(7-24)8-25/h2-6,9,11,13,24-25H,7-8,10H2,1H3,(H2,19,21)