3-BENZYL-1H-PURINE-2,6(3H,7H)-DIONE

CAS No.
19844-93-0
CCD No.
CCD08135500
Formula
C12 H10 N4 O2
MolWeight
242.237

Basic Information

Product Name: 3-BENZYL-1H-PURINE-2,6(3H,7H)-DIONE
CAS: 19844-93-0
English Synonyms: 3-BENZYL-3,7-DIHYDRO-PURINE-2,6-DIONE ; 3-BENZYL XANTHINE ; 3-BENZYL-1H-PURINE-2,6(3H,7H)-DIONE
MDL Number.: MFCD02167630
H bond acceptor: 6
H bond donor: 2
Smile: c1ccc(cc1)Cn2c3c(c(=O)[nH]c2=O)[nH]cn3
InChi: InChI=1S/C12H10N4O2/c17-11-9-10(14-7-13-9)16(12(18)15-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)(H,15,17,18)
InChiKey: InChIKey=YWCSDTAKJJLSPO-UHFFFAOYSA-N

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