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

Systemtic Name: 3-[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-1-methyl-1-nitroso-urea Openeye Name: 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-1-methyl-1-nitroso-urea CAS Name: 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-1-methyl-1-nitrosourea IUPAC Name: 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea Traditional Name: 3-(5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl)-1-methyl-1-nitroso-urea Formula: C12H16N8O5 MolecularWeight: 352.30604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO)N=O

Isomeric SMILES

CN(C(=O)NC1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO)N=O

InChI

InChI=1S/C12H16N8O5/c1-19(18-24)12(23)17-6-5(2-21)25-11(8(6)22)20-4-16-7-9(13)14-3-15-10(7)20/h3-6,8,11,21-22H,2H2,1H3,(H,17,23)(H2,13,14,15)