4-chloranyl-6-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-6-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]pyrimidin-2-amine Openeye Name: 4-chloro-6-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]pyrimidin-2-amine CAS Name: 4-chloro-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-pyrimidinamine IUPAC Name: 4-chloro-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine Traditional Name: [4-chloro-6-[4-(3-fluoro-4-methoxy-benzyl)piperazino]pyrimidin-2-yl]amine Formula: C16H19ClFN5O MolecularWeight: 351.806363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC(=NC(=N3)N)Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC(=NC(=N3)N)Cl)F

InChI

InChI=1S/C16H19ClFN5O/c1-24-13-3-2-11(8-12(13)18)10-22-4-6-23(7-5-22)15-9-14(17)20-16(19)21-15/h2-3,8-9H,4-7,10H2,1H3,(H2,19,20,21)