MLS000104044

ethyl 4-[[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate

Also Known As: UPCMLD0ENAT5837462:001|AB00433992-09|ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate|F0634-0660|ethyl 4-[[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate|ethyl 4-((7-isopentyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate|ethyl 4-[(7-isopentyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate|4-[(7-isoamyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester|4-[[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester|ethyl 4-[[1,3-dimethyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate|ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-1,3,7-trihydropurin-8-yl]me thyl}piperazinecarboxylate|ethyl 4-{1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl}piperazine-1-carboxylate|Ethyl4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

Molecular Formula	C20H32N6O4
Molecular Weight	420.2485 g/mol
LogP	0.7539
Topological Polar Surface Area	94.6 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	420.2485
Monoisotopic Mass	420.2485
Heavy Atoms	30
Complexity	1026.5619

Chemical Identifiers

CAS Number	851941-87-2
SMILES	CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)C