3-[3-bromanyl-5-[2-bromanyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-phenyl]-1-butyl-1-methyl-thiourea

Systemtic Name: 3-[3-bromanyl-5-[2-bromanyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-phenyl]-1-butyl-1-methyl-thiourea Openeye Name: 3-[3-bromo-5-[2-bromo-6-(methylamino)pyrimidin-4-yl]sulfanyl-phenyl]-1-butyl-1-methyl-thiourea CAS Name: 3-[3-bromo-5-[[2-bromo-6-(methylamino)-4-pyrimidinyl]thio]phenyl]-1-butyl-1-methylthiourea IUPAC Name: 3-[3-bromo-5-[2-bromo-6-(methylamino)pyrimidin-4-yl]sulfanylphenyl]-1-butyl-1-methylthiourea Traditional Name: 3-[3-bromo-5-[[2-bromo-6-(methylamino)pyrimidin-4-yl]thio]phenyl]-1-butyl-1-methyl-thiourea Formula: C17H21Br2N5S2 MolecularWeight: 519.32014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=S)NC1=CC(=CC(=C1)Br)SC2=NC(=NC(=C2)NC)Br

Isomeric SMILES

CCCCN(C)C(=S)NC1=CC(=CC(=C1)Br)SC2=NC(=NC(=C2)NC)Br

InChI

InChI=1S/C17H21Br2N5S2/c1-4-5-6-24(3)17(25)21-12-7-11(18)8-13(9-12)26-15-10-14(20-2)22-16(19)23-15/h7-10H,4-6H2,1-3H3,(H,21,25)(H,20,22,23)