2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[[2-(3-bromophenyl)thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[2-(3-bromophenyl)-4-thiazolyl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[[2-(3-bromophenyl)thiazol-4-yl]methylthio]pyrimidin-4-yl]amine Formula: C14H12BrN5S2 MolecularWeight: 394.31258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC(=CS2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC(=CS2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H12BrN5S2/c15-9-3-1-2-8(4-9)13-18-10(6-21-13)7-22-14-19-11(16)5-12(17)20-14/h1-6H,7H2,(H4,16,17,19,20)