Chem
J-GLOBAL ID:201407028556336921
Nikkaji number:J3.241.978J
7aβ-[3-(Pyrimidine-5-yl)phenyl]-4,6,7,7aα-tetrahydro-3aβH-pyrano[4,3-d]oxazole-2-amine
7aβ-[3-(ピリミジン-5-イル)フェニル]-4,6,7,7aα-テトラヒドロ-3aβH-ピラノ[4,3-d]オキサゾール-2-アミン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C16 H16 N4 O2
Molecular formula furigana:
C16-H16-N4-O2
Molecular weight:
296.330
InChI:
InChI=1S/C16H16N4O2/c17-15-20-16(4-5-21-9-14(16)22-15)13-3-1-2-11(6-13)12-7-18-10-19-8-12/h1-3,6-8,10,14H,4-5,9H2,(H2,17,20)/t14-,16-/m1/s1
InChI key:
QBOAOWFKBWILHE-GDBMZVCRSA-N
SMILES:
NC1=N[C@]2(CCOC[C@H]2O1)c1cccc(c1)c1cncnc1
Systematic name (3):
7aβ-[3-(ピリミジン-5-イル)フェニル]-4,6,7,7aα-テトラヒドロ-3aβH-ピラノ[4,3-d]オキサゾール-2-アミン
(3aS,7aR)-7a-[3-(ピリミジン-5-イル)フェニル]-3aH,4H,6H,7H,7aH-ピラノ[4,3-d][1,3]オキサゾール-2-アミン
(3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3aH,4H,6H,7H,7aH-pyrano[4,3-d][1,3]oxazol-2-amine
Other name (1):
7aβ-[3-(Pyrimidine-5-yl)phenyl]-4,6,7,7aα-tetrahydro-3aβH-pyrano[4,3-d]oxazole-2-amine
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