1-methyl-1-nitroso-3-[6-(6-oxidanylidene-3H-purin-9-yl)heptyl]urea

Systemtic Name: 1-methyl-1-nitroso-3-[6-(6-oxidanylidene-3H-purin-9-yl)heptyl]urea Openeye Name: 1-methyl-1-nitroso-3-[6-(6-oxo-3H-purin-9-yl)heptyl]urea CAS Name: 1-methyl-1-nitroso-3-[6-(6-oxo-3H-purin-9-yl)heptyl]urea IUPAC Name: 1-methyl-1-nitroso-3-[6-(6-oxo-3H-purin-9-yl)heptyl]urea Traditional Name: 3-[6-(6-keto-3H-purin-9-yl)heptyl]-1-methyl-1-nitroso-urea Formula: C14H21N7O3 MolecularWeight: 335.36164

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCNC(=O)N(C)N=O)N1C=NC2=C1NC=NC2=O

Isomeric SMILES

CC(CCCCCNC(=O)N(C)N=O)N1C=NC2=C1NC=NC2=O

InChI

InChI=1S/C14H21N7O3/c1-10(6-4-3-5-7-15-14(23)20(2)19-24)21-9-18-11-12(21)16-8-17-13(11)22/h8-10H,3-7H2,1-2H3,(H,15,23)(H,16,17,22)