6-[2-[[5-imidazol-1-yl-4-(4-piperidin-1-ylphenyl)pyrimidin-2-yl]amino]ethylamino]-N-oxidanyl-pyridin-3-amine oxide

Systemtic Name: 6-[2-[[5-imidazol-1-yl-4-(4-piperidin-1-ylphenyl)pyrimidin-2-yl]amino]ethylamino]-N-oxidanyl-pyridin-3-amine oxide Openeye Name: N-hydroxy-6-[2-[[5-imidazol-1-yl-4-[4-(1-piperidyl)phenyl]pyrimidin-2-yl]amino]ethylamino]pyridin-3-amine oxide CAS Name: N-hydroxy-6-[2-[[5-(1-imidazolyl)-4-[4-(1-piperidinyl)phenyl]-2-pyrimidinyl]amino]ethylamino]-3-pyridinamine oxide IUPAC Name: N-hydroxy-6-[2-[[5-imidazol-1-yl-4-(4-piperidin-1-ylphenyl)pyrimidin-2-yl]amino]ethylamino]pyridin-3-amine oxide Traditional Name: N-hydroxy-6-[2-[[5-imidazol-1-yl-4-(4-piperidinophenyl)pyrimidin-2-yl]amino]ethylamino]pyridin-3-amine oxide Formula: C25H29N9O2 MolecularWeight: 487.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=NC(=NC=C3N4C=CN=C4)NCCNC5=NC=C(C=C5)[NH+](O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NC(=NC=C3N4C=CN=C4)NCCNC5=NC=C(C=C5)[NH+](O)[O-]

InChI

InChI=1S/C25H29N9O2/c35-34(36)21-8-9-23(29-16-21)27-10-11-28-25-30-17-22(33-15-12-26-18-33)24(31-25)19-4-6-20(7-5-19)32-13-2-1-3-14-32/h4-9,12,15-18,34-35H,1-3,10-11,13-14H2,(H,27,29)(H,28,30,31)