4-[4-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-6-chloranyl-pyrimidin-2-amine

Systemtic Name: 4-[4-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-6-chloranyl-pyrimidin-2-amine Openeye Name: 4-[4-[[5-(4-bromophenyl)-2-thienyl]methyl]piperazin-1-yl]-6-chloro-pyrimidin-2-amine CAS Name: 4-[4-[[5-(4-bromophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-6-chloro-2-pyrimidinamine IUPAC Name: 4-[4-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-6-chloropyrimidin-2-amine Traditional Name: [4-[4-[[5-(4-bromophenyl)-2-thienyl]methyl]piperazino]-6-chloro-pyrimidin-2-yl]amine Formula: C19H19BrClN5S MolecularWeight: 464.80966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=C(C=C3)Br)C4=CC(=NC(=N4)N)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=C(C=C3)Br)C4=CC(=NC(=N4)N)Cl

InChI

InChI=1S/C19H19BrClN5S/c20-14-3-1-13(2-4-14)16-6-5-15(27-16)12-25-7-9-26(10-8-25)18-11-17(21)23-19(22)24-18/h1-6,11H,7-10,12H2,(H2,22,23,24)