1H-PURINE-1-ACETIC ACID, 2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-

CAS No.
5614-56-2
CCD No.
CCD00549072
Formula
C9 H10 N4 O4
MolWeight
238.202

Basic Information

Product Name: 1H-PURINE-1-ACETIC ACID, 2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-
CAS: 5614-56-2
English Synonyms: 1-THEOBROMINEACETIC ACID ; (3,7-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL)ACETIC ACID ; 2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-1H-PURINE-1-ACETIC ACID ; 1H-PURINE-1-ACETIC ACID, 2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-
MDL Number.: MFCD06655208
H bond acceptor: 8
H bond donor: 1
Smile: Cn1cnc2c1c(=O)n(c(=O)n2C)CC(=O)O
InChi: InChI=1S/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15)
InChiKey: InChIKey=YCTSCXLOPJCPDH-UHFFFAOYSA-N

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