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

Systemtic Name: 2-(ethylamino)-6-(5-fluoranyl-6-methoxy-pyridin-3-yl)-4-methyl-8-[(3S)-piperidin-1-ium-3-yl]pteridin-7-one Openeye Name: 2-(ethylamino)-6-(5-fluoro-6-methoxy-3-pyridyl)-4-methyl-8-[(3S)-piperidin-1-ium-3-yl]pteridin-7-one CAS Name: 2-(ethylamino)-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-[(3S)-3-piperidin-1-iumyl]-7-pteridinone IUPAC Name: 2-(ethylamino)-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-[(3S)-piperidin-1-ium-3-yl]pteridin-7-one Traditional Name: 2-(ethylamino)-6-(5-fluoro-6-methoxy-3-pyridyl)-4-methyl-8-[(3S)-piperidin-1-ium-3-yl]pteridin-7-one Formula: C20H25FN7O2+ MolecularWeight: 414.456603

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C2C(=N1)N(C(=O)C(=N2)C3=CC(=C(N=C3)OC)F)C4CCC[NH2+]C4)C

Isomeric SMILES

CCNC1=NC(=C2C(=N1)N(C(=O)C(=N2)C3=CC(=C(N=C3)OC)F)[C@H]4CCC[NH2+]C4)C

InChI

InChI=1S/C20H24FN7O2/c1-4-23-20-25-11(2)15-17(27-20)28(13-6-5-7-22-10-13)19(29)16(26-15)12-8-14(21)18(30-3)24-9-12/h8-9,13,22H,4-7,10H2,1-3H3,(H,23,25,27)/p+1/t13-/m0/s1