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

Systemtic Name: 3-[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl]-1-methyl-1-nitroso-urea Openeye Name: 3-[[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl]-1-methyl-1-nitroso-urea CAS Name: 3-[[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl]-1-methyl-1-nitrosourea IUPAC Name: 3-[[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl]-1-methyl-1-nitrosourea Traditional Name: 3-[[3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl]-1-methyl-1-nitroso-urea Formula: C12H15N7O6 MolecularWeight: 353.2908

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NCC1C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O)N=O

Isomeric SMILES

CN(C(=O)NCC1C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O)N=O

InChI

InChI=1S/C12H15N7O6/c1-18(17-24)12(23)13-2-5-7(20)8(21)11(25-5)19-4-16-6-9(19)14-3-15-10(6)22/h3-5,7-8,11,20-21H,2H2,1H3,(H,13,23)(H,14,15,22)