1-methyl-1-nitroso-3-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]urea

Systemtic Name: 1-methyl-1-nitroso-3-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]urea Openeye Name: 3-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-1-methyl-1-nitroso-urea CAS Name: 1-methyl-1-nitroso-3-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]urea IUPAC Name: 3-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-1-methyl-1-nitrosourea Traditional Name: 3-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-1-methyl-1-nitroso-urea Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1=CC(=O)N=C(N1)SCC2=CC=CC=C2)N=O

Isomeric SMILES

CN(C(=O)NC1=CC(=O)N=C(N1)SCC2=CC=CC=C2)N=O

InChI

InChI=1S/C13H13N5O3S/c1-18(17-21)13(20)15-10-7-11(19)16-12(14-10)22-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H2,14,15,16,19,20)