2-[2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-6-ylidene]-1-phenyl-ethanone

Systemtic Name: 2-[2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-6-ylidene]-1-phenyl-ethanone Openeye Name: 2-[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-ylidene]-1-phenyl-ethanone CAS Name: 2-[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-purin-6-ylidene]-1-phenylethanone IUPAC Name: 2-[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-ylidene]-1-phenylethanone Traditional Name: 2-[2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1H-purin-6-ylidene]-1-phenyl-ethanone Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=C2C3=C(N=C(N2)N)N(C=N3)C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C=C2C3=C(N=C(N2)N)N(C=N3)C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H19N5O5/c19-18-21-10(6-11(25)9-4-2-1-3-5-9)13-16(22-18)23(8-20-13)17-15(27)14(26)12(7-24)28-17/h1-6,8,12,14-15,17,24,26-27H,7H2,(H3,19,21,22)