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

Systemtic Name: 3-[5-(6-azanyl-2-chloranyl-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-1-methyl-1-nitroso-urea Openeye Name: 3-[5-(6-amino-2-chloro-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-1-methyl-1-nitroso-urea CAS Name: 3-[5-(6-amino-2-chloro-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-1-methyl-1-nitrosourea IUPAC Name: 3-[5-(6-amino-2-chloropurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea Traditional Name: 3-[5-(6-amino-2-chloro-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]-1-methyl-1-nitroso-urea Formula: C12H15ClN8O5 MolecularWeight: 386.7511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN8O5/c1-20(19-25)12(24)16-5-4(2-22)26-10(7(5)23)21-3-15-6-8(14)17-11(13)18-9(6)21/h3-5,7,10,22-23H,2H2,1H3,(H,16,24)(H2,14,17,18)