1-methyl-1-nitroso-3-[2-(7H-purin-6-ylamino)ethyl]urea

Systemtic Name: 1-methyl-1-nitroso-3-[2-(7H-purin-6-ylamino)ethyl]urea Openeye Name: 1-methyl-1-nitroso-3-[2-(7H-purin-6-ylamino)ethyl]urea CAS Name: 1-methyl-1-nitroso-3-[2-(7H-purin-6-ylamino)ethyl]urea IUPAC Name: 1-methyl-1-nitroso-3-[2-(7H-purin-6-ylamino)ethyl]urea Traditional Name: 1-methyl-1-nitroso-3-[2-(7H-purin-6-ylamino)ethyl]urea Formula: C9H12N8O2 MolecularWeight: 264.24398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NCCNC1=NC=NC2=C1NC=N2)N=O

Isomeric SMILES

CN(C(=O)NCCNC1=NC=NC2=C1NC=N2)N=O

InChI

InChI=1S/C9H12N8O2/c1-17(16-19)9(18)11-3-2-10-7-6-8(13-4-12-6)15-5-14-7/h4-5H,2-3H2,1H3,(H,11,18)(H2,10,12,13,14,15)