6-(5-fluoranyl-6-methoxy-pyridin-3-yl)-4-methyl-8-[(3S)-piperidin-1-ium-3-yl]-2-(propan-2-ylamino)pteridin-7-one

Systemtic Name: 6-(5-fluoranyl-6-methoxy-pyridin-3-yl)-4-methyl-8-[(3S)-piperidin-1-ium-3-yl]-2-(propan-2-ylamino)pteridin-7-one Openeye Name: 6-(5-fluoro-6-methoxy-3-pyridyl)-2-(isopropylamino)-4-methyl-8-[(3S)-piperidin-1-ium-3-yl]pteridin-7-one CAS Name: 6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-[(3S)-3-piperidin-1-iumyl]-2-(propan-2-ylamino)-7-pteridinone IUPAC Name: 6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-[(3S)-piperidin-1-ium-3-yl]-2-(propan-2-ylamino)pteridin-7-one Traditional Name: 6-(5-fluoro-6-methoxy-3-pyridyl)-2-(isopropylamino)-4-methyl-8-[(3S)-piperidin-1-ium-3-yl]pteridin-7-one Formula: C21H27FN7O2+ MolecularWeight: 428.483183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)NC(C)C)N(C(=O)C(=N2)C3=CC(=C(N=C3)OC)F)C4CCC[NH2+]C4

Isomeric SMILES

CC1=C2C(=NC(=N1)NC(C)C)N(C(=O)C(=N2)C3=CC(=C(N=C3)OC)F)[C@H]4CCC[NH2+]C4

InChI

InChI=1S/C21H26FN7O2/c1-11(2)25-21-26-12(3)16-18(28-21)29(14-6-5-7-23-10-14)20(30)17(27-16)13-8-15(22)19(31-4)24-9-13/h8-9,11,14,23H,5-7,10H2,1-4H3,(H,25,26,28)/p+1/t14-/m0/s1