2-[4-[(4-chlorophenyl)methylamino]-6-methyl-pyrimidin-2-yl]sulfanyl-N'-oxidanyl-ethanimidamide

Systemtic Name: 2-[4-[(4-chlorophenyl)methylamino]-6-methyl-pyrimidin-2-yl]sulfanyl-N'-oxidanyl-ethanimidamide Openeye Name: 2-[4-[(4-chlorophenyl)methylamino]-6-methyl-pyrimidin-2-yl]sulfanyl-N'-hydroxy-acetamidine CAS Name: 2-[[4-[(4-chlorophenyl)methylamino]-6-methyl-2-pyrimidinyl]thio]-N'-hydroxyethanimidamide IUPAC Name: 2-[4-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]sulfanyl-N'-hydroxyethanimidamide Traditional Name: 2-[[4-[(4-chlorobenzyl)amino]-6-methyl-pyrimidin-2-yl]thio]-N'-hydroxy-acetamidine Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=NO)N)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)SC/C(=N/O)/N)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN5OS/c1-9-6-13(17-7-10-2-4-11(15)5-3-10)19-14(18-9)22-8-12(16)20-21/h2-6,21H,7-8H2,1H3,(H2,16,20)(H,17,18,19)