Chem
J-GLOBAL ID:201707020108817147
Nikkaji number:J3.603.212J
G-5555
2-(メチルアミノ)-6-[2-クロロ-4-(6-メチル-2-ピリジニル)フェニル]-8-(5β-アミノ-1,3-ジオキサン-2α-イルメチル)-7,8-ジヒドロピリド[2,3-d]ピリミジン-7-オン
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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:
C25 H25 ClN6 O3
Molecular formula furigana:
C25-H25-CL-N6-O3
Molecular weight:
492.960
InChI:
InChI=1S/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)/t17-,22-
InChI key:
ZBCMHWUFWQFPLV-VVOJOOEHSA-N
SMILES:
CNc1ncc2cc(c3ccc(cc3Cl)c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
Systematic name (3):
2-(メチルアミノ)-6-[2-クロロ-4-(6-メチル-2-ピリジニル)フェニル]-8-(5β-アミノ-1,3-ジオキサン-2α-イルメチル)-7,8-ジヒドロピリド[2,3-d]ピリミジン-7-オン
6-[2-クロロ-4-(6-メチルピリジン-2-イル)フェニル]-2-(メチルアミノ)-8-{[(2r,5r)-5-アミノ-1,3-ジオキサン-2-イル]メチル}-7H,8H-ピリド[2,3-d]ピリミジン-7-オン
6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)-8-{[(2r,5r)-5-amino-1,3-dioxan-2-yl]methyl}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
Other name (2):
2-(Methylamino)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(5β-amino-1,3-dioxane-2α-ylmethyl)-7,8-dihydropyrido[2,3-d]pyrimidine-7-one
G-5555
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