4-[[4-azanyl-5-[2,3-bis(fluoranyl)-6-methoxy-phenyl]carbonyl-pyrimidin-2-yl]amino]piperidine-1-carbaldehyde

Systemtic Name: 4-[[4-azanyl-5-[2,3-bis(fluoranyl)-6-methoxy-phenyl]carbonyl-pyrimidin-2-yl]amino]piperidine-1-carbaldehyde Openeye Name: 4-[[4-amino-5-(2,3-difluoro-6-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidine-1-carbaldehyde CAS Name: 4-[[4-amino-5-[(2,3-difluoro-6-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinecarboxaldehyde IUPAC Name: 4-[[4-amino-5-(2,3-difluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carbaldehyde Traditional Name: 4-[[4-amino-5-(2,3-difluoro-6-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidine-1-carbaldehyde Formula: C18H19F2N5O3 MolecularWeight: 391.371966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)C=O

Isomeric SMILES

COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)C=O

InChI

InChI=1S/C18H19F2N5O3/c1-28-13-3-2-12(19)15(20)14(13)16(27)11-8-22-18(24-17(11)21)23-10-4-6-25(9-26)7-5-10/h2-3,8-10H,4-7H2,1H3,(H3,21,22,23,24)