1-methyl-1-nitroso-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea

Systemtic Name: 1-methyl-1-nitroso-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea Openeye Name: 1-methyl-1-nitroso-3-[2-(6-thioxo-3H-purin-9-yl)ethyl]urea CAS Name: 1-methyl-1-nitroso-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea IUPAC Name: 1-methyl-1-nitroso-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea Traditional Name: 1-methyl-1-nitroso-3-[2-(6-thioxo-3H-purin-9-yl)ethyl]urea Formula: C9H11N7O2S MolecularWeight: 281.29434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NCCN1C=NC2=C1NC=NC2=S)N=O

Isomeric SMILES

CN(C(=O)NCCN1C=NC2=C1NC=NC2=S)N=O

InChI

InChI=1S/C9H11N7O2S/c1-15(14-18)9(17)10-2-3-16-5-13-6-7(16)11-4-12-8(6)19/h4-5H,2-3H2,1H3,(H,10,17)(H,11,12,19)