2-[[(7R)-2-azanyl-7-[4-fluoranyl-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-3,7,8,8a-tetrahydropyrido[4,3-d]pyrimidin-5-yl]amino]oxy-1-[(3S)-3-oxidanylpyrrolidin-1-yl]ethanone

Systemtic Name: 2-[[(7R)-2-azanyl-7-[4-fluoranyl-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-3,7,8,8a-tetrahydropyrido[4,3-d]pyrimidin-5-yl]amino]oxy-1-[(3S)-3-oxidanylpyrrolidin-1-yl]ethanone Openeye Name: 2-[[(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridyl)phenyl]-4-methyl-3,7,8,8a-tetrahydropyrido[4,3-d]pyrimidin-5-yl]amino]oxy-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone CAS Name: 2-[[(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-3,7,8,8a-tetrahydropyrido[4,3-d]pyrimidin-5-yl]amino]oxy-1-[(3S)-3-hydroxy-1-pyrrolidinyl]ethanone IUPAC Name: 2-[[(7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-3,7,8,8a-tetrahydropyrido[4,3-d]pyrimidin-5-yl]amino]oxy-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone Traditional Name: 2-[[(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridyl)phenyl]-4-methyl-3,7,8,8a-tetrahydropyrido[4,3-d]pyrimidin-5-yl]amino]oxy-1-[(3S)-3-hydroxypyrrolidino]ethanone Formula: C26H30FN7O4 MolecularWeight: 523.559303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CC(N=C2NOCC(=O)N3CCC(C3)O)C4=C(C=C(C=C4)F)C5=NC(=CC=C5)OC)N=C(N1)N

Isomeric SMILES

CC1=C2C(C[C@@H](N=C2NOCC(=O)N3CC[C@@H](C3)O)C4=C(C=C(C=C4)F)C5=NC(=CC=C5)OC)N=C(N1)N

InChI

InChI=1S/C26H30FN7O4/c1-14-24-21(32-26(28)29-14)11-20(31-25(24)33-38-13-23(36)34-9-8-16(35)12-34)17-7-6-15(27)10-18(17)19-4-3-5-22(30-19)37-2/h3-7,10,16,20-21,35H,8-9,11-13H2,1-2H3,(H,31,33)(H3,28,29,32)/t16-,20+,21?/m0/s1