1-(2-chloroethyl)-1-nitroso-3-(4-oxidanylidene-2-propan-2-ylsulfanyl-1H-pyrimidin-6-yl)urea

Systemtic Name: 1-(2-chloroethyl)-1-nitroso-3-(4-oxidanylidene-2-propan-2-ylsulfanyl-1H-pyrimidin-6-yl)urea Openeye Name: 1-(2-chloroethyl)-3-(2-isopropylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-1-nitroso-3-[4-oxo-2-(propan-2-ylthio)-1H-pyrimidin-6-yl]urea IUPAC Name: 1-(2-chloroethyl)-1-nitroso-3-(4-oxo-2-propan-2-ylsulfanyl-1H-pyrimidin-6-yl)urea Traditional Name: 1-(2-chloroethyl)-3-[2-(isopropylthio)-4-keto-1H-pyrimidin-6-yl]-1-nitroso-urea Formula: C10H14ClN5O3S MolecularWeight: 319.76786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=O)C=C(N1)NC(=O)N(CCCl)N=O

Isomeric SMILES

CC(C)SC1=NC(=O)C=C(N1)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C10H14ClN5O3S/c1-6(2)20-9-12-7(5-8(17)14-9)13-10(18)16(15-19)4-3-11/h5-6H,3-4H2,1-2H3,(H2,12,13,14,17,18)