3-[4-[(2-chloranyl-5-cyano-1H-pyrimidin-2-yl)sulfanyl]phenyl]-1,1-dimethyl-urea

Systemtic Name: 3-[4-[(2-chloranyl-5-cyano-1H-pyrimidin-2-yl)sulfanyl]phenyl]-1,1-dimethyl-urea Openeye Name: 3-[4-[(2-chloro-5-cyano-1H-pyrimidin-2-yl)sulfanyl]phenyl]-1,1-dimethyl-urea CAS Name: 3-[4-[(2-chloro-5-cyano-1H-pyrimidin-2-yl)thio]phenyl]-1,1-dimethylurea IUPAC Name: 3-[4-[(2-chloro-5-cyano-1H-pyrimidin-2-yl)sulfanyl]phenyl]-1,1-dimethylurea Traditional Name: 3-[4-[(2-chloro-5-cyano-1H-pyrimidin-2-yl)thio]phenyl]-1,1-dimethyl-urea Formula: C14H14ClN5OS MolecularWeight: 335.81186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=CC=C(C=C1)SC2(NC=C(C=N2)C#N)Cl

Isomeric SMILES

CN(C)C(=O)NC1=CC=C(C=C1)SC2(NC=C(C=N2)C#N)Cl

InChI

InChI=1S/C14H14ClN5OS/c1-20(2)13(21)19-11-3-5-12(6-4-11)22-14(15)17-8-10(7-16)9-18-14/h3-6,8-9,17H,1-2H3,(H,19,21)