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

Systemtic Name: 2-[4-[(4-chlorophenyl)methylamino]-6-propyl-pyrimidin-2-yl]sulfanyl-N'-oxidanyl-ethanimidamide Openeye Name: 2-[4-[(4-chlorophenyl)methylamino]-6-propyl-pyrimidin-2-yl]sulfanyl-N'-hydroxy-acetamidine CAS Name: 2-[[4-[(4-chlorophenyl)methylamino]-6-propyl-2-pyrimidinyl]thio]-N'-hydroxyethanimidamide IUPAC Name: 2-[4-[(4-chlorophenyl)methylamino]-6-propylpyrimidin-2-yl]sulfanyl-N'-hydroxyethanimidamide Traditional Name: 2-[[4-[(4-chlorobenzyl)amino]-6-propyl-pyrimidin-2-yl]thio]-N'-hydroxy-acetamidine Formula: C16H20ClN5OS MolecularWeight: 365.8809

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=NO)N)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC1=CC(=NC(=N1)SC/C(=N/O)/N)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClN5OS/c1-2-3-13-8-15(19-9-11-4-6-12(17)7-5-11)21-16(20-13)24-10-14(18)22-23/h4-8,23H,2-3,9-10H2,1H3,(H2,18,22)(H,19,20,21)