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

Systemtic Name: 1-(2-chloroethyl)-1-nitroso-3-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]urea Openeye Name: 3-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-1-(2-chloroethyl)-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-1-nitroso-3-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]urea IUPAC Name: 3-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-1-(2-chloroethyl)-1-nitrosourea Traditional Name: 3-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-1-(2-chloroethyl)-1-nitroso-urea Formula: C14H14ClN5O3S MolecularWeight: 367.81066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)NC(=O)N(CCCl)N=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C14H14ClN5O3S/c15-6-7-20(19-23)14(22)17-11-8-12(21)18-13(16-11)24-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H2,16,17,18,21,22)