Chem
J-GLOBAL ID:201407097482444672
Nikkaji number:J3.313.020A
T-863
4β-[4-(4-アミノ-7,7-ジメチル-7H-ピリミド[4,5-b][1,4]オキサジン-6β-イル)フェニル]シクロヘキサン-1α-酢酸
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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:
C22 H26 N4 O3
Molecular formula furigana:
C22-H26-N4-O3
Molecular weight:
394.475
InChI:
InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
InChI key:
FUIYMYNYUHVDPT-HDJSIYSDSA-N
SMILES:
CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(=O)O)CC1
Systematic name (3):
4β-[4-(4-アミノ-7,7-ジメチル-7H-ピリミド[4,5-b][1,4]オキサジン-6β-イル)フェニル]シクロヘキサン-1α-酢酸
2-[(1r,4r)-4-(4-{4-アミノ-7,7-ジメチル-7H-ピリミド[4,5-b][1,4]オキサジン-6-イル}フェニル)シクロヘキシル]酢酸
2-[(1r,4r)-4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)cyclohexyl]acetic acid
Other name (2):
4β-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-6β-yl)phenyl]cyclohexane-1α-acetic acid
T-863
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