3-[3-bromanyl-5-[3-chloranyl-6-(methylamino)pyrazin-2-yl]sulfanyl-phenyl]-1-butyl-1-methyl-thiourea

Systemtic Name: 3-[3-bromanyl-5-[3-chloranyl-6-(methylamino)pyrazin-2-yl]sulfanyl-phenyl]-1-butyl-1-methyl-thiourea Openeye Name: 3-[3-bromo-5-[3-chloro-6-(methylamino)pyrazin-2-yl]sulfanyl-phenyl]-1-butyl-1-methyl-thiourea CAS Name: 3-[3-bromo-5-[[3-chloro-6-(methylamino)-2-pyrazinyl]thio]phenyl]-1-butyl-1-methylthiourea IUPAC Name: 3-[3-bromo-5-[3-chloro-6-(methylamino)pyrazin-2-yl]sulfanylphenyl]-1-butyl-1-methylthiourea Traditional Name: 3-[3-bromo-5-[[3-chloro-6-(methylamino)pyrazin-2-yl]thio]phenyl]-1-butyl-1-methyl-thiourea Formula: C17H21BrClN5S2 MolecularWeight: 474.86914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=S)NC1=CC(=CC(=C1)Br)SC2=NC(=CN=C2Cl)NC

Isomeric SMILES

CCCCN(C)C(=S)NC1=CC(=CC(=C1)Br)SC2=NC(=CN=C2Cl)NC

InChI

InChI=1S/C17H21BrClN5S2/c1-4-5-6-24(3)17(25)22-12-7-11(18)8-13(9-12)26-16-15(19)21-10-14(20-2)23-16/h7-10H,4-6H2,1-3H3,(H,20,23)(H,22,25)