2-azanyl-4-[1-(4-fluorophenyl)-2-oxidanyl-1-piperazin-1-yl-propyl]-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purine-6,8-dione

Systemtic Name: 2-azanyl-4-[1-(4-fluorophenyl)-2-oxidanyl-1-piperazin-1-yl-propyl]-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purine-6,8-dione Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-[1-(4-fluorophenyl)-2-hydroxy-1-piperazin-1-yl-propyl]-1H-purine-6,8-dione CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-[1-(4-fluorophenyl)-2-hydroxy-1-(1-piperazinyl)propyl]-1H-purine-6,8-dione IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[1-(4-fluorophenyl)-2-hydroxy-1-piperazin-1-ylpropyl]-1H-purine-6,8-dione Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4-[1-(4-fluorophenyl)-2-hydroxy-1-piperazino-propyl]-1H-purine-6,8-quinone Formula: C23H30FN7O7 MolecularWeight: 535.525403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)F)(C23C(=NC(=O)N2C4C(C(C(O4)CO)O)O)C(=O)NC(=N3)N)N5CCNCC5)O

Isomeric SMILES

CC(C(C1=CC=C(C=C1)F)(C23C(=NC(=O)N2C4C(C(C(O4)CO)O)O)C(=O)NC(=N3)N)N5CCNCC5)O

InChI

InChI=1S/C23H30FN7O7/c1-11(33)22(30-8-6-26-7-9-30,12-2-4-13(24)5-3-12)23-17(18(36)28-20(25)29-23)27-21(37)31(23)19-16(35)15(34)14(10-32)38-19/h2-5,11,14-16,19,26,32-35H,6-10H2,1H3,(H3,25,28,29,36)