2-azanyl-9-[5-[[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]-3,7-dihydropurine-6,8-dione

Systemtic Name: 2-azanyl-9-[5-[[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]-3,7-dihydropurine-6,8-dione Openeye Name: 2-amino-9-[5-[[2-(4-chlorophenyl)-2-oxo-ethoxy]methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3,7-dihydropurine-6,8-dione CAS Name: 2-amino-9-[5-[[2-(4-chlorophenyl)-2-oxoethoxy]methyl]-3,4-dihydroxy-2-oxolanyl]-3,7-dihydropurine-6,8-dione IUPAC Name: 2-amino-9-[5-[[2-(4-chlorophenyl)-2-oxoethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-3,7-dihydropurine-6,8-dione Traditional Name: 2-amino-9-[5-[[2-(4-chlorophenyl)-2-keto-ethoxy]methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3,7-dihydropurine-6,8-quinone Formula: C18H18ClN5O7 MolecularWeight: 451.81782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COCC2C(C(C(O2)N3C4=C(C(=O)N=C(N4)N)NC3=O)O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)COCC2C(C(C(O2)N3C4=C(C(=O)N=C(N4)N)NC3=O)O)O)Cl

InChI

InChI=1S/C18H18ClN5O7/c19-8-3-1-7(2-4-8)9(25)5-30-6-10-12(26)13(27)16(31-10)24-14-11(21-18(24)29)15(28)23-17(20)22-14/h1-4,10,12-13,16,26-27H,5-6H2,(H,21,29)(H3,20,22,23,28)