(E)-8-(3,4-METHYLENEDIOXYSTYRYL)-1,3-DIPROPYLXANTHINE HYDRATE

CAS No.
151539-61-6
CCD No.
CCD00251892
Formula
C20 H22 N4 O4 . H2 O
MolWeight
400.433

Basic Information

Product Name: (E)-8-(3,4-METHYLENEDIOXYSTYRYL)-1,3-DIPROPYLXANTHINE HYDRATE
CAS: 151539-61-6
English Synonyms: (E)-8-(3,4-METHYLENEDIOXYSTYRYL)-1,3-DIPROPYLXANTHINE HYDRATE
MDL Number.: MFCD01757724
H bond acceptor: 8
H bond donor: 1
Smile: CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)/C=C/c3ccc4c(c3)OCO4.O
InChi: InChI=1S/C20H22N4O4.H2O/c1-3-9-23-18-17(19(25)24(10-4-2)20(23)26)21-16(22-18)8-6-13-5-7-14-15(11-13)28-12-27-14;/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,22);1H2/b8-6+;
InChiKey: InChIKey=AVSAXRTUAHMRHZ-WVLIHFOGSA-N

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