Chem
J-GLOBAL ID:200907055418796650
Nikkaji number:J622.544F
(E)-3-[4-[(1,3-Dipropyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]phenyl]propenoic acid
(E)-3-[4-[(1,3-ジプロピル-2,6-ジオキソ-2,3,6,7-テトラヒドロ-1H-プリン)-8-イル]フェニル]プロペン酸
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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:
C20 H22 N4 O4
Molecular formula furigana:
C20-H22-N4-O4
Molecular weight:
382.420
InChI:
InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+
InChI key:
UGCOFEOEBHUEHA-JXMROGBWSA-N
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)c1ccc(/C=C/C(=O)O)cc1
Systematic name (3):
(E)-3-[4-[(1,3-ジプロピル-2,6-ジオキソ-2,3,6,7-テトラヒドロ-1H-プリン)-8-イル]フェニル]プロペン酸
(2E)-3-[4-(2,6-ジオキソ-1,3-ジプロピル-2,3,6,7-テトラヒドロ-1H-プリン-8-イル)フェニル]プロパ-2-エン酸
(2E)-3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenyl]prop-2-enoic acid
Other name (1):
(E)-3-[4-[(1,3-Dipropyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]phenyl]propenoic acid
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