7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex

2-(7,8-dimethyl-2,4-dioxo-1,9a-dihydrobenzo[g]pteridin-10-yl)acetic acid;9-N-ethylpurine-6,9-diamine;heptahydrate

Also Known As: Dia-aea|7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex|2-(7,8-dimethyl-2,4-dioxo-1,9a-dihydrobenzo[g]pteridin-10-yl)acetic acid;9-N-ethylpurine-6,9-diamine;heptahydrate|Benzo(g)pteridine-10(2H)-acetic acid, 1,3,4,9a-tetrahydro-7,8-dimethyl-2,4-dioxo-, compd. with N9-ethyl-9H-purine-6,9-diamine, tetrahydrate|(2,4-Dihydroxy-7,8-dimethylbenzo[g]pteridin-10(9aH)-yl)acetic acid--N~9~-ethyl-9H-purine-6,9-diamine--water (1/1/7)|2-(7,8-dimethyl-2,4-dioxo-1,9a-dihydrobenzo[g]pteridin-10-yl)acetic acid; 9-N-ethylpurine-6,9-diamine; heptahydrate

Molecular Formula	C21H38N10O11
Molecular Weight	606.27216 g/mol
LogP	-5.4859
Topological Polar Surface Area	200.0 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	18
Rotatable Bonds	4
Exact Mass	606.27216
Monoisotopic Mass	606.27216
Heavy Atoms	42
Complexity	903.0

Chemical Identifiers

CAS Number	78093-77-3
SMILES	CCNN1C=NC2=C(N=CN=C21)N.CC1=CC2C(=NC3=C(N2CC(=O)O)NC(=O)NC3=O)C=C1C.O.O.O.O.O.O.O
InChIKey	YJGCYCWZAMSUSY-UHFFFAOYSA-N