3-[2-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl]-1-methyl-1-nitroso-urea

Systemtic Name: 3-[2-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl]-1-methyl-1-nitroso-urea Openeye Name: 3-[2-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-ethyl]-1-methyl-1-nitroso-urea CAS Name: 3-[2-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl]-1-methyl-1-nitrosourea IUPAC Name: 3-[2-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-1-methyl-1-nitrosourea Traditional Name: 3-[2-(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)-2-hydroxy-ethyl]-1-methyl-1-nitroso-urea Formula: C13H18N8O6 MolecularWeight: 382.33202

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NCC(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O)N=O

Isomeric SMILES

CN(C(=O)NCC(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O)N=O

InChI

InChI=1S/C13H18N8O6/c1-20(19-26)13(25)15-2-5(22)9-7(23)8(24)12(27-9)21-4-18-6-10(14)16-3-17-11(6)21/h3-5,7-9,12,22-24H,2H2,1H3,(H,15,25)(H2,14,16,17)